TCM-ID Component

Description of the Component

Component ID	TCMH2360
Latin Name	Brucea javanica
English Name	Java brucea
Chinese Pinyin Name	Ya Dan Zi
中文名	鸦胆子
TCM Properties
TCM Meridians
Therapeutic Class English	Heat clearence
Therapeutic Class Chinese	清热
Functions	remove toxic heat, stop malarial attacks, relieve dysentery, and cauterize vegetations
Toxicity	NA
Geo-authentic habitats (道地产区)	Guangdong Province,Hong Kong,Macao
Reference	CFDA
Barcode ID	ITSAJ4378-14
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMF4572	Jiu Li Pills	久痢丸

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT1	EHMT2	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Transferase	Q96KQ7
TCMT100	TTR	Transthyretin	Unclassified	P02766
TCMT101	PTPN1	Protein-tyrosine phosphatase 1B	Hydrolase	P18031
TCMT102	ACP1	Low molecular weight phosphotyrosine protein phosphatase	Hydrolase	P24666
TCMT103	PTPRF	Receptor-type tyrosine-protein phosphatase F (LAR)	Hydrolase	P10586
TCMT11	HIF1A	Hypoxia-inducible factor 1 alpha	Transcription factor	Q16665
TCMT112	ADORA3	Adenosine A3 receptor	GPCR	P0DMS8
TCMT125	GBA	Beta-glucocerebrosidase	Hydrolase	P04062
TCMT126	TERT	Telomerase reverse transcriptase	Transferase	O14746
TCMT127	PARP1	Poly [ADP-ribose] polymerase-1	Transferase	P09874
TCMT128	TNKS2	Tankyrase-2	Transferase	Q9H2K2
TCMT129	TNKS	Tankyrase-1	Transferase	O95271
TCMT130	ALOX5	Arachidonate 5-lipoxygenase	Oxidoreductase	P09917
TCMT131	ACHE	Acetylcholinesterase	Hydrolase	P22303
TCMT132	BCHE	Butyrylcholinesterase	Hydrolase	P06276
TCMT133	CA1	Carbonic anhydrase I	Lyase	P00915
TCMT134	CA2	Carbonic anhydrase II	Lyase	P00918
TCMT135	CA14	Carbonic anhydrase XIV	Lyase	Q9ULX7
TCMT136	CA12	Carbonic anhydrase XII	Lyase	O43570
TCMT137	CA9	Carbonic anhydrase IX	Lyase	Q16790
TCMT138	CA7	Carbonic anhydrase VII	Lyase	P43166
TCMT139	CA6	Carbonic anhydrase VI	Lyase	P23280
TCMT140	CA5B	Carbonic anhydrase VB	Lyase	Q9Y2D0
TCMT141	CA5A	Carbonic anhydrase VA	Lyase	P35218
TCMT142	CA4	Carbonic anhydrase IV	Lyase	P22748
TCMT143	CA3	Carbonic anhydrase III	Lyase	P07451
TCMT150	RORC	Nuclear receptor ROR-gamma	Nuclear receptor	P51449
TCMT156	CYP19A1	Cytochrome P450 19A1	Oxidoreductase	P11511
TCMT160	HTR7	Serotonin 7 (5-HT7) receptor	GPCR	P34969
TCMT161	HCAR2	Hydroxycarboxylic acid receptor 2	GPCR	Q8TDS4
TCMT162	UGT1A1	UDP-glucuronosyltransferase 1-1	Transferase	P22309
TCMT17	POLB	DNA polymerase beta	Transferase	P06746
TCMT171	PTPN6	Protein-tyrosine phosphatase 1C	Hydrolase	P29350
TCMT174	HSD11B1	11-beta-hydroxysteroid dehydrogenase 1	Oxidoreductase	P28845
TCMT176	SOAT1	Acyl coenzyme A:cholesterol acyltransferase 1	Transferase	P35610
TCMT18	GAA	Lysosomal alpha-glucosidase	Hydrolase	P10253
TCMT187	AR	Androgen Receptor	Nuclear receptor	P10275
TCMT189	DUSP3	Dual specificity protein phosphatase 3	Hydrolase	P51452
TCMT190	PTPN2	T-cell protein-tyrosine phosphatase	Hydrolase	P17706
TCMT2	MAPT	Microtubule-associated protein tau	Unclassified	P10636
TCMT208	MAOA	Monoamine oxidase A	Oxidoreductase	P21397
TCMT215	CYP1A1	Cytochrome P450 1A1	Oxidoreductase	P04798
TCMT219	CYP1A2	Cytochrome P450 1A2	Oxidoreductase	P05177
TCMT223	AKR1B1	Aldose reductase	Oxidoreductase	P15121
TCMT233	PTPN11	Protein-tyrosine phosphatase 2C	Hydrolase	Q06124
TCMT239	PIM1	Serine/threonine-protein kinase PIM1	Kinase	P11309
TCMT240	AMY1A	Salivary alpha-amylase	Unclassified	P04745
TCMT248	CXCL8	Interleukin-8	Unclassified	P10145
TCMT249	CDK6	Cyclin-dependent kinase 6	Kinase	Q00534
TCMT257	CYP1B1	Cytochrome P450 1B1	Oxidoreductase	Q16678
TCMT260	FLT3	Tyrosine-protein kinase receptor FLT3	Kinase	P36888
TCMT261	DAPK1	Death-associated protein kinase 1	Kinase	P53355
TCMT265	GSK3B	Glycogen synthase kinase-3 beta	Kinase	P49841
TCMT273	NR1H4	Bile acid receptor FXR	Nuclear receptor	Q96RI1
TCMT280	AKR1B10	Aldo-keto reductase family 1 member B10	Oxidoreductase	O60218
TCMT292	CHRM1	Muscarinic acetylcholine receptor M1	GPCR	P11229
TCMT297	FABP4	Fatty acid binding protein adipocyte	Unclassified	P15090
TCMT298	FABP3	Fatty acid binding protein muscle	Hydrolase	P05413
TCMT3	ALOX15	Arachidonate 15-lipoxygenase	Oxidoreductase	P16050
TCMT306	MMP2	Matrix metalloproteinase-2	Hydrolase	P08253
TCMT307	KCNH2	HERG	Ion channel	Q12809
TCMT31	CYP2C19	Cytochrome P450 2C19	Oxidoreductase	P33261
TCMT320	MMP3	Matrix metalloproteinase 3	Hydrolase	P08254
TCMT321	MMP9	Matrix metalloproteinase 9	Hydrolase	P14780
TCMT322	MMP13	Matrix metalloproteinase 13	Hydrolase	P45452
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT331	PLG	Plasminogen	Unclassified	P00747
TCMT336	IDO1	Indoleamine 2,3-dioxygenase	Oxidoreductase	P14902
TCMT34	CYP2D6	Cytochrome P450 2D6	Oxidoreductase	P10635
TCMT41	IDH1	Isocitrate dehydrogenase [NADP] cytoplasmic	Oxidoreductase	O75874
TCMT42	KMT2A	Histone-lysine N-methyltransferase MLL	Transferase	Q03164
TCMT423	EGFR	Epidermal growth factor receptor erbB1	Kinase	P00533
TCMT44	GLO1	Glyoxalase I	Lyase	Q04760
TCMT45	APP	Beta amyloid A4 protein	Unclassified	P05067
TCMT46	F3	Coagulation factor III	Unclassified	P13726
TCMT47	BCL2	Apoptosis regulator Bcl-2	Ion channel	P10415
TCMT508	SYK	Tyrosine-protein kinase SYK	Kinase	P43405
TCMT558	TOP2A	DNA topoisomerase II alpha	Isomerase	P11388
TCMT588	DAO	D-amino-acid oxidase	Oxidoreductase	P14920
TCMT59	BCL2L1	Apoptosis regulator Bcl-X	Ion channel	Q07817
TCMT592	XDH	Xanthine dehydrogenase	Oxidoreductase	P47989
TCMT598	TOP1	DNA topoisomerase I	Isomerase	P11387
TCMT6	NFKB1	Nuclear factor NF-kappa-B p105 subunit	Transcription factor	P19838
TCMT60	FASN	Fatty acid synthase	Unclassified	P49327
TCMT63	PPARA	Peroxisome proliferator-activated receptor alpha	Nuclear receptor	Q07869
TCMT636	POLA1	DNA polymerase alpha subunit	Transferase	P09884
TCMT64	PPARD	Peroxisome proliferator-activated receptor delta	Nuclear receptor	Q03181
TCMT65	HSD17B1	Estradiol 17-beta-dehydrogenase 1	Oxidoreductase	P14061
TCMT66	HSD17B2	Estradiol 17-beta-dehydrogenase 2	Oxidoreductase	P37059
TCMT67	PPARG	Peroxisome proliferator-activated receptor gamma	Nuclear receptor	P37231
TCMT69	THRB	Thyroid hormone receptor beta-1	Nuclear receptor	P10828
TCMT734	MMP12	Matrix metalloproteinase 12	Hydrolase	P39900
TCMT739	GPR35	G-protein coupled receptor 35	GPCR	Q9HC97
TCMT8	KDM4E	Lysine-specific demethylase 4D-like	Oxidoreductase	B2RXH2
TCMT80	MAPK1	MAP kinase ERK2	Kinase	P28482
TCMT808	FABP5	Fatty acid binding protein epidermal	Unclassified	Q01469
TCMT809	FABP2	Fatty acid binding protein intestinal	Unclassified	P12104
TCMT81	ALOX12	Arachidonate 12-lipoxygenase	Oxidoreductase	P18054
TCMT810	TLR2	Toll-like receptor 2	Unclassified	O60603
TCMT82	ESR1	Estrogen receptor alpha	Nuclear receptor	P03372
TCMT822	FUT7	Alpha-(1,3)-fucosyltransferase 7	Transferase	Q11130
TCMT83	CD38	Lymphocyte differentiation antigen CD38	Unclassified	P28907
TCMT87	CYP2C9	Cytochrome P450 2C9	Oxidoreductase	P11712

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1090	Human immunodeficiency virus type 1 integrase
TCMT1092	Fatty acid synthase
TCMT1093	Enoyl-acyl-carrier protein reductase
TCMT1094	3-oxoacyl-acyl-carrier protein reductase
TCMT1099	Neuraminidase
TCMT1108	Integrase
TCMT1121	Sialidase
TCMT1178	Actinomyces viscosus
TCMT1189	Pseudomonas fluorescens
TCMT1212	Verticillium dahliae
TCMT1213	Neisseria gonorrhoeae
TCMT1218	Staphylococcus aureus
TCMT1226	Klebsiella pneumoniae
TCMT1229	Enterococcus faecalis
TCMT1232	Pseudomonas aeruginosa
TCMT1246	Escherichia coli
TCMT1247	Human herpesvirus 1
TCMT1251	Candida albicans
TCMT1286	Bacillus cereus
TCMT1361	Neisseria meningitidis
TCMT1382	Plasmodium falciparum (isolate K1 / Thailand)
TCMT1438	Plasmodium falciparum
TCMT1442	Leishmania donovani
TCMT1449	Influenza A virus
TCMT1454	Bacillus subtilis
TCMT1455	Mycobacterium tuberculosis H37Rv
TCMT1458	Filobasidiella neoformans
TCMT1464	Hepatitis B virus
TCMT1465	Entamoeba histolytica

Ingredient Structrues

Ingredient ID: TCMC955
Formula: C4H6O2

Common Name	Crotonic Acid
IUPAC Name	(E)-but-2-enoic acid
Canonical SMILES	C/C=C/C(=O)O
Standard InCHI	InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
Standard InCHIKey	LDHQCZJRKDOVOX-NSCUHMNNSA-N
External Identifiers	ChEMBL [CHEMBL1213528]; PubChem [637090];
Reference of Component-Ingredient Pair	25472435

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH1518	Chaenomeles sinensis	Mu Gua	木瓜
TCMH30	Croton tiglium	Ba Dou Ye	巴豆叶
TCMH28	Croton tiglium	Ba Dou	巴豆
TCMH29	Croton tiglium	Ba Dou Shuang	巴豆霜

Ingredient ID: TCMC865
Formula: C14H8N2O

Common Name	Canthin-6-One
IUPAC Name	n.a.
Canonical SMILES	O=c1ccc2c3n1c1ccccc1c3ccn2
Standard InCHI	InChI=1S/C14H8N2O/c17-13-6-5-11-14-10(7-8-15-11)9-3-1-2-4-12(9)16(13)14/h1-8H
Standard InCHIKey	ZERVJPYNQLONEK-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL156897]; PubChem [97176];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1214	Picrasma quassioides	Ku Mu	苦木
TCMH316	Ailanthi cortex	Chun Pi	椿皮
TCMH2374	Phellodendron amurense	Yan Guan Huang Bai	盐关黄柏
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH314	Ailanthus altissima	Chun Gen Pi	椿根皮
TCMH717	Phellodendron amurense	Guan Huang Bai	关黄柏
TCMH949	Phellodendron amurense	Huang Bai	黄柏
TCMH950	Phellodendron amurense	Huang Bai Fen	黄柏粉
TCMH951	Phellodendron amurense	Huang Bai Tan	黄柏炭

Ingredient ID: TCMC830
Formula: C23H26N2O4

Common Name	Brucine
IUPAC Name	(4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one
Canonical SMILES	COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2
Standard InCHI	InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1
Standard InCHIKey	RRKTZKIUPZVBMF-IBTVXLQLSA-N
External Identifiers	ChEMBL [CHEMBL501756]; PubChem [442021];
Reference of Component-Ingredient Pair	22954530

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC805
Formula: C30H46O3

Common Name	Betunolic Acid
IUPAC Name	(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
Canonical SMILES	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C(=O)O
Standard InCHI	InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1
Standard InCHIKey	SLJTWDNVZKIDAU-SVAFSPIFSA-N
External Identifiers	ChEMBL [CHEMBL431525]; PubChem [122844];
Reference of Component-Ingredient Pair	17290322

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1862	Cornus officinalis	Shan Zhu Yu	山茱萸
TCMH611	Rubus idaeus	Fu Pen Zi	覆盆子
TCMH1348	Liquidambar formosana	Lu Lu Tong	路路通
TCMH2072	Rhodomyrtus tomentosa	Tao Jin Niang Gen	桃金娘根
TCMH445	Hypericum japonicum	Di Er Cao	地耳草
TCMH1299	Ganoderma lucidum	Ling Zhi(1)	灵芝
TCMH859	Ormosia hosiei	Hong Dou	红豆
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH1539	Cucurbita moschata	Nan Gua	南瓜
TCMH1588	Achyranthes bidentata	Niu Xi	牛膝
TCMH2373	Rhus chinensis	Yan Fu Mu	盐肤木
TCMH1643	Syzygium jambos	Pu Tao(1)	蒲桃
TCMH1175	Cornus officinalis	Jiu Yu Rou	酒萸肉
TCMH668	Rhodomyrtus tomentosa	Gang Ren Zi	岗稔子
TCMH1584	Achyranthes bidentata	Niu Teng	牛藤
TCMH592	Liquidambar formosana	Feng Xiang Ye	枫香叶
TCMH594	Liquidambar formosana	Feng Xiang Zhi Chou Gao	枫香脂稠膏
TCMH1296	Ganoderma lucidum	Ling Zhi Jin Gao	灵芝浸膏

Ingredient ID: TCMC753
Formula: C9H16O4

Common Name	Azelaic Acid
IUPAC Name	hydron;nonanedioate
Canonical SMILES	OC(=O)CCCCCCCC(=O)O
Standard InCHI	InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
Standard InCHIKey	BDJRBEYXGGNYIS-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1238]; PubChem [19347555];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH316	Ailanthi cortex	Chun Pi	椿皮
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH1498	Ranunculus ternatus	Mao Zhao Cao	猫爪草
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1299	Ganoderma lucidum	Ling Zhi(1)	灵芝
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1519	Oroxylum indicum	Mu Hu Die	木蝴蝶
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH110	Cynanchum atratum	Bai Wei	白薇
TCMH2056	Cynomorium songaricum	Suo Yang	锁阳
TCMH1539	Cucurbita moschata	Nan Gua	南瓜
TCMH961	Artemisia scoparia	Huang Hao	黄蒿
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH1296	Ganoderma lucidum	Ling Zhi Jin Gao	灵芝浸膏

Ingredient ID: TCMC7266
Formula: C20H26O8

Common Name	Bruceine G
IUPAC Name	(1R,2S,3R,6S,7R,8S,13S,14R,15R,16S,17S)-3,7,15,16-tetrahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
Canonical SMILES	O=C1C=C(C)[C@H]2[C@@](C1)(C)[C@H]1[C@@H](O)[C@H](O)[C@@]3([C@H]4[C@@]1([C@@H]([C@@H]2O)OC(=O)[C@@H]4O)CO3)C
Standard InCHI	InChI=1S/C20H26O8/c1-7-4-8(21)5-18(2)9(7)10(22)16-20-6-27-19(3,15(25)11(23)13(18)20)14(20)12(24)17(26)28-16/h4,9-16,22-25H,5-6H2,1-3H3/t9-,10-,11-,12-,13-,14+,15+,16-,18+,19+,20-/m1/s1
Standard InCHIKey	BTMQZYLHKCMAJQ-FMSQRDJMSA-N
External Identifiers	ChEMBL [N/A]; PubChem [102059835];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC7194
Formula: C34H46O16

Common Name	Yadanzioside N
IUPAC Name	methyl (1R,2S,3R,6R,8S,9S,13S,14S,15R,16S,17S)-3-[(E)-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,12-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-10-ene-17-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC2=C[C@@H](C)[C@H]3[C@@](C2=O)(C)[C@H]2[C@@H](O)[C@H](O)[C@@]4([C@H]5[C@@]2([C@@H](C3)OC(=O)[C@@H]5OC(=O)/C=C(/C(C)C)C)CO4)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C34H46O16/c1-12(2)13(3)8-19(36)50-24-26-33-11-46-34(26,31(44)45-6)28(42)23(40)25(33)32(5)15(9-18(33)49-29(24)43)14(4)7-16(27(32)41)47-30-22(39)21(38)20(37)17(10-35)48-30/h7-8,12,14-15,17-18,20-26,28,30,35,37-40,42H,9-11H2,1-6H3/b13-8+/t14-,15+,17-,18-,20-,21+,22-,23-,24-,25-,26-,28+,30-,32+,33-,34+/m1/s1
Standard InCHIKey	YSFALLIAQRJCQF-JTCMMNOTSA-N
External Identifiers	ChEMBL [N/A]; PubChem [101659164];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC7193
Formula: C32H44O17

Common Name	Yadanzioside J
IUPAC Name	methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-15,16-dihydroxy-3-(3-hydroxy-3-methylbutanoyl)oxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC2=C[C@@]3(C)[C@H]([C@@H](C2=O)C)C[C@@H]2[C@@]45[C@@H]3[C@@H](O)[C@H](O)[C@]([C@@H]5[C@H](C(=O)O2)OC(=O)CC(O)(C)C)(OC4)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C32H44O17/c1-11-12-6-15-31-10-45-32(28(42)44-5,24(31)22(26(41)48-15)49-16(34)8-29(2,3)43)25(40)21(39)23(31)30(12,4)7-13(17(11)35)46-27-20(38)19(37)18(36)14(9-33)47-27/h7,11-12,14-15,18-25,27,33,36-40,43H,6,8-10H2,1-5H3/t11-,12-,14+,15+,18+,19-,20+,21+,22+,23+,24+,25-,27+,30-,31+,32-/m0/s1
Standard InCHIKey	WVPARSYXLBZOEY-TUWGSULGSA-N
External Identifiers	ChEMBL [N/A]; PubChem [101659163];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC7192
Formula: C32H46O16

Common Name	Yadanzioside H
IUPAC Name	methyl (1R,2S,3R,6R,8S,11S,12S,13S,14R,15R,16S,17S)-12,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4-oxo-11-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2C=C(C)[C@H]3[C@@]([C@@H]2O)(C)[C@H]2[C@@H](O)[C@H](O)[C@@]4([C@H]5[C@@]2([C@@H](C3)OC(=O)[C@@H]5OC(=O)CC(C)C)CO4)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C32H46O16/c1-11(2)6-17(34)48-22-24-31-10-44-32(24,29(42)43-5)26(40)21(38)23(31)30(4)13(8-16(31)47-27(22)41)12(3)7-14(25(30)39)45-28-20(37)19(36)18(35)15(9-33)46-28/h7,11,13-16,18-26,28,33,35-40H,6,8-10H2,1-5H3/t13-,14-,15+,16+,18+,19-,20+,21+,22+,23+,24+,25+,26-,28+,30-,31+,32-/m0/s1
Standard InCHIKey	DYJYHQPMHVMJIS-DXMXMRDXSA-N
External Identifiers	ChEMBL [N/A]; PubChem [101659162];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC7191
Formula: C36H48O18

Common Name	Yadanzioside G
IUPAC Name	methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC2=C[C@@]3(C)[C@H]([C@@H](C2=O)C)C[C@@H]2[C@@]45[C@@H]3[C@@H](O)[C@H](O)[C@]([C@@H]5[C@H](C(=O)O2)OC(=O)/C=C(/C(OC(=O)C)(C)C)C)(OC4)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C36H48O18/c1-13(33(4,5)54-15(3)38)8-20(39)53-26-28-35-12-49-36(28,32(47)48-7)29(45)25(44)27(35)34(6)10-17(21(40)14(2)16(34)9-19(35)52-30(26)46)50-31-24(43)23(42)22(41)18(11-37)51-31/h8,10,14,16,18-19,22-29,31,37,41-45H,9,11-12H2,1-7H3/b13-8+/t14-,16-,18+,19+,22+,23-,24+,25+,26+,27+,28+,29-,31+,34-,35+,36-/m0/s1
Standard InCHIKey	YNYBTCKMNHXXGZ-CYIYFLOKSA-N
External Identifiers	ChEMBL [N/A]; PubChem [101659161];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC7190
Formula: C32H44O16

Common Name	Yadanzioside E
IUPAC Name	methyl (1R,2S,3R,6R,8S,11S,12S,13S,14R,15R,16S,17S)-12,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4-oxo-11-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2C=C(C)[C@H]3[C@@]([C@@H]2O)(C)[C@H]2[C@@H](O)[C@H](O)[C@@]4([C@H]5[C@@]2([C@@H](C3)OC(=O)[C@@H]5OC(=O)C=C(C)C)CO4)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C32H44O16/c1-11(2)6-17(34)48-22-24-31-10-44-32(24,29(42)43-5)26(40)21(38)23(31)30(4)13(8-16(31)47-27(22)41)12(3)7-14(25(30)39)45-28-20(37)19(36)18(35)15(9-33)46-28/h6-7,13-16,18-26,28,33,35-40H,8-10H2,1-5H3/t13-,14-,15+,16+,18+,19-,20+,21+,22+,23+,24+,25+,26-,28+,30-,31+,32-/m0/s1
Standard InCHIKey	IZUDZNKPPXKFJY-DXMXMRDXSA-N
External Identifiers	ChEMBL [N/A]; PubChem [101659160];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC7189
Formula: C34H46O17

Common Name	Yadanzioside C
IUPAC Name	methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-15,16-dihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC2=C[C@@]3(C)[C@H]([C@@H](C2=O)C)C[C@@H]2[C@@]45[C@@H]3[C@@H](O)[C@H](O)[C@]([C@@H]5[C@H](C(=O)O2)OC(=O)/C=C(/C(O)(C)C)C)(OC4)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C34H46O17/c1-12(31(3,4)45)7-18(36)51-24-26-33-11-47-34(26,30(44)46-6)27(42)23(41)25(33)32(5)9-15(19(37)13(2)14(32)8-17(33)50-28(24)43)48-29-22(40)21(39)20(38)16(10-35)49-29/h7,9,13-14,16-17,20-27,29,35,38-42,45H,8,10-11H2,1-6H3/b12-7+/t13-,14-,16+,17+,20+,21-,22+,23+,24+,25+,26+,27-,29+,32-,33+,34-/m0/s1
Standard InCHIKey	HOEZNQMKHRGGTI-ZJNUUKDLSA-N
External Identifiers	ChEMBL [N/A]; PubChem [101659158];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC7188
Formula: C32H44O16

Common Name	Yadanzioside A
IUPAC Name	methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC2=C[C@@]3(C)[C@H]([C@@H](C2=O)C)C[C@@H]2[C@@]45[C@@H]3[C@@H](O)[C@H](O)[C@]([C@@H]5[C@H](C(=O)O2)OC(=O)CC(C)C)(OC4)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C32H44O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h8,11-13,15-16,19-26,28,33,36-40H,6-7,9-10H2,1-5H3/t12-,13-,15+,16+,19+,20-,21+,22+,23+,24+,25+,26-,28+,30-,31+,32-/m0/s1
Standard InCHIKey	QDQJWSSPAMZRIA-TUHDNREHSA-N
External Identifiers	ChEMBL [N/A]; PubChem [101659157];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC7141
Formula: C20H26O8

Common Name	Bruceene
IUPAC Name	(1R,2R,3R,6R,8S,12R,13S,14R,15R,16S,17R)-2,3,12,15,16-pentahydroxy-13,17-dimethyl-9-methylidene-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-10-en-4-one
Canonical SMILES	O=C1O[C@@H]2C[C@H]3C(=C)C=C[C@H]([C@@]3([C@@H]3[C@@]42[C@]([C@H]1O)(O)[C@](C)(OC4)[C@H]([C@@H]3O)O)C)O
Standard InCHI	InChI=1S/C20H26O8/c1-8-4-5-10(21)17(2)9(8)6-11-19-7-27-18(3,14(23)12(22)13(17)19)20(19,26)15(24)16(25)28-11/h4-5,9-15,21-24,26H,1,6-7H2,2-3H3/t9-,10+,11+,12+,13+,14-,15-,17+,18+,19+,20+/m0/s1
Standard InCHIKey	XOCAUHIMAORHTN-AIGRQIEHSA-N
External Identifiers	ChEMBL [N/A]; PubChem [101600137];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC7097
Formula: C26H38O14

Common Name	Bruceine E 2-Β-D-Glucopyranoside
IUPAC Name	(1R,2R,3R,6R,8S,11S,12S,13S,14R,15R,16S,17R)-2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-11-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-4-one
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2C=C(C)[C@H]3[C@@]([C@@H]2O)(C)[C@H]2[C@@H](O)[C@H](O)[C@@]4([C@]5([C@@]2([C@@H](C3)OC(=O)[C@@H]5O)CO4)O)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C26H38O14/c1-8-4-10(38-22-15(30)14(29)13(28)11(6-27)39-22)18(32)23(2)9(8)5-12-25-7-37-24(3,19(33)16(31)17(23)25)26(25,36)20(34)21(35)40-12/h4,9-20,22,27-34,36H,5-7H2,1-3H3/t9-,10-,11+,12+,13+,14-,15+,16+,17+,18+,19-,20-,22+,23-,24+,25+,26+/m0/s1
Standard InCHIKey	GLBAPTKVDVXEGQ-INLJEDTESA-N
External Identifiers	ChEMBL [N/A]; PubChem [101273517];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC7073
Formula: C30H50O4

Common Name	Isofouquierone Peroxide
IUPAC Name	(5R,8R,9R,10R,13R,14R,17S)-17-[(E,2S)-6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Canonical SMILES	OOC(/C=C/C[C@@]([C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)(O)C)(C)C
Standard InCHI	InChI=1S/C30H50O4/c1-25(2,34-33)15-9-16-30(8,32)21-12-18-28(6)20(21)10-11-23-27(5)17-14-24(31)26(3,4)22(27)13-19-29(23,28)7/h9,15,20-23,32-33H,10-14,16-19H2,1-8H3/b15-9+/t20-,21+,22+,23-,27+,28-,29-,30+/m1/s1
Standard InCHIKey	KZGHWXGDVVHWOC-FGDOMUFVSA-N
External Identifiers	ChEMBL [N/A]; PubChem [101109523];
Reference of Component-Ingredient Pair	11515571

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC6510
Formula: C34H46O17

Common Name	Yadanzioside L
IUPAC Name	methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-15,16-dihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC2=C(C)[C@H]3[C@@](CC2=O)(C)[C@H]2[C@@H](O)[C@H](O)[C@@]4([C@H]5[C@@]2([C@@H](C3)OC(=O)[C@@H]5OC(=O)/C=C(/C(O)(C)C)C)CO4)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C34H46O17/c1-12(31(3,4)45)7-18(37)50-24-26-33-11-47-34(26,30(44)46-6)27(42)22(41)25(33)32(5)9-15(36)23(13(2)14(32)8-17(33)49-28(24)43)51-29-21(40)20(39)19(38)16(10-35)48-29/h7,14,16-17,19-22,24-27,29,35,38-42,45H,8-11H2,1-6H3/b12-7+/t14-,16+,17+,19+,20-,21+,22+,24+,25+,26+,27-,29-,32-,33+,34-/m0/s1
Standard InCHIKey	VQXORSYVERYBCU-PLKZQDTBSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21636149];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC6509
Formula: C29H38O16

Common Name	Yadanzioside I
IUPAC Name	methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-acetyloxy-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC2=C(C)[C@H]3[C@@](CC2=O)(C)[C@H]2[C@@H](O)[C@H](O)[C@@]4([C@H]5[C@@]2([C@@H](C3)OC(=O)[C@@H]5OC(=O)C)CO4)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C29H38O16/c1-9-11-5-14-28-8-41-29(26(39)40-4,22(28)20(24(38)44-14)42-10(2)31)23(37)18(36)21(28)27(11,3)6-12(32)19(9)45-25-17(35)16(34)15(33)13(7-30)43-25/h11,13-18,20-23,25,30,33-37H,5-8H2,1-4H3/t11-,13+,14+,15+,16-,17+,18+,20+,21+,22+,23-,25-,27-,28+,29-/m0/s1
Standard InCHIKey	QVXFIBXCQCYPLP-BBIBOMAQSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21636148];
Reference of Component-Ingredient Pair	20050684

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC6460
Formula: C30H50O3

Common Name	Fouquierone
IUPAC Name	(5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5R)-2,5-dihydroxy-6-methylhept-6-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Canonical SMILES	CC(=C)[C@@H](CC[C@@]([C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)(O)C)O
Standard InCHI	InChI=1S/C30H50O3/c1-19(2)22(31)12-18-30(8,33)21-11-16-28(6)20(21)9-10-24-27(5)15-14-25(32)26(3,4)23(27)13-17-29(24,28)7/h20-24,31,33H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1
Standard InCHIKey	WLFYAHQFDJKVSZ-ZOUCRMHASA-N
External Identifiers	ChEMBL [N/A]; PubChem [21607678];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC6459
Formula: C34H46O16

Common Name	Bruceantinoside A
IUPAC Name	methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-3-[(E)-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC2=C[C@@]3(C)[C@H]([C@@H](C2=O)C)C[C@@H]2[C@@]45[C@@H]3[C@@H](O)[C@H](O)[C@]([C@@H]5[C@H](C(=O)O2)OC(=O)/C=C(/C(C)C)C)(OC4)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C34H46O16/c1-12(2)13(3)7-19(36)50-25-27-33-11-46-34(27,31(44)45-6)28(42)24(41)26(33)32(5)9-16(20(37)14(4)15(32)8-18(33)49-29(25)43)47-30-23(40)22(39)21(38)17(10-35)48-30/h7,9,12,14-15,17-18,21-28,30,35,38-42H,8,10-11H2,1-6H3/b13-7+/t14-,15-,17+,18+,21+,22-,23+,24+,25+,26+,27+,28-,30+,32-,33+,34-/m0/s1
Standard InCHIKey	ASHBUMOFZXVPPC-OSEXXACASA-N
External Identifiers	ChEMBL [N/A]; PubChem [21606956];
Reference of Component-Ingredient Pair	7288443

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC6359
Formula: C32H42O16

Common Name	Bruceoside C
IUPAC Name	methyl (1R,2R,6S,7R,8R,13R,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-7-(3-methylbut-2-enoyloxy)-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC2=C(C)[C@H]3[C@@](CC2=O)(C)[C@H]2[C@@H](O)[C@H](O)[C@@]4([C@H]5[C@@]2([C@@H]([C@@H]3OC(=O)C=C(C)C)OC(=O)C5)CO4)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C32H42O16/c1-11(2)6-16(35)46-24-18-12(3)23(48-28-21(39)20(38)19(37)14(9-33)45-28)13(34)8-30(18,4)25-22(40)26(41)32(29(42)43-5)15-7-17(36)47-27(24)31(15,25)10-44-32/h6,14-15,18-22,24-28,33,37-41H,7-10H2,1-5H3/t14-,15-,18-,19-,20+,21-,22-,24-,25-,26+,27-,28+,30+,31+,32+/m1/s1
Standard InCHIKey	ASOOSZCOBHWYHJ-DGGNSZFLSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21115217];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC6358
Formula: C34H40O16

Common Name	Yadanzioside M
IUPAC Name	methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-3-benzoyloxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC2=C[C@@]3(C)[C@H]([C@@H](C2=O)C)C[C@@H]2[C@@]45[C@@H]3[C@@H](O)[C@H](O)[C@]([C@@H]5[C@H](C(=O)O2)OC(=O)c2ccccc2)(OC4)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C34H40O16/c1-13-15-9-18-33-12-46-34(31(44)45-3,26(33)24(29(43)49-18)50-28(42)14-7-5-4-6-8-14)27(41)23(40)25(33)32(15,2)10-16(19(13)36)47-30-22(39)21(38)20(37)17(11-35)48-30/h4-8,10,13,15,17-18,20-27,30,35,37-41H,9,11-12H2,1-3H3/t13-,15-,17+,18+,20+,21-,22+,23+,24+,25+,26+,27-,30+,32-,33+,34-/m0/s1
Standard InCHIKey	QHFGKHHBXLUOJV-ROCAPRSOSA-N
External Identifiers	ChEMBL [CHEMBL2368274]; PubChem [21115200];
Reference of Component-Ingredient Pair	2746262

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC5784
Formula: C34H46O16

Common Name	Yadanzioside P
IUPAC Name	methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-[(E)-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC2=C(C)[C@H]3[C@@](CC2=O)(C)[C@H]2[C@@H](O)[C@H](O)[C@@]4([C@H]5[C@@]2([C@@H](C3)OC(=O)[C@@H]5OC(=O)/C=C(/C(C)C)C)CO4)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C34H46O16/c1-12(2)13(3)7-19(37)49-25-27-33-11-46-34(27,31(44)45-6)28(42)23(41)26(33)32(5)9-16(36)24(14(4)15(32)8-18(33)48-29(25)43)50-30-22(40)21(39)20(38)17(10-35)47-30/h7,12,15,17-18,20-23,25-28,30,35,38-42H,8-11H2,1-6H3/b13-7+/t15-,17+,18+,20+,21-,22+,23+,25+,26+,27+,28-,30-,32-,33+,34-/m0/s1
Standard InCHIKey	OWJYNFLAIMDDLT-BUWCNATISA-N
External Identifiers	ChEMBL [N/A]; PubChem [11765370];
Reference of Component-Ingredient Pair	2746262

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC5705
Formula: C28H38O12

Common Name	Javanicolide D
IUPAC Name	methyl (1R,2S,3R,6R,8S,11S,12S,13S,14R,15R,16S,17S)-11,12,15,16-tetrahydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4-oxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Canonical SMILES	COC(=O)[C@@]12OC[C@]34[C@H]2[C@@H](OC(=O)/C=C(/C(O)(C)C)C)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)[C@H](O)[C@@H](O)C=C2C
Standard InCHI	InChI=1S/C28H38O12/c1-11-7-14(29)21(32)26(5)13(11)9-15-27-10-38-28(24(35)37-6,22(33)17(31)19(26)27)20(27)18(23(34)39-15)40-16(30)8-12(2)25(3,4)36/h7-8,13-15,17-22,29,31-33,36H,9-10H2,1-6H3/b12-8+/t13-,14-,15+,17+,18+,19+,20+,21+,22-,26-,27+,28-/m0/s1
Standard InCHIKey	BYOUNBVBMRXOLD-PVSFWKLVSA-N
External Identifiers	ChEMBL [CHEMBL503843]; PubChem [11455840];
Reference of Component-Ingredient Pair	15165151

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC5633
Formula: C26H36O11

Common Name	Javanicolide C
IUPAC Name	methyl (1R,2S,3R,6R,8S,9S,10S,11R,13S,14R,15R,16S,17S)-10,11,15,16-tetrahydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4-oxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate
Canonical SMILES	COC(=O)[C@@]12OC[C@]34[C@H]2[C@@H](OC(=O)C=C(C)C)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)C[C@@H](O)[C@H]([C@H]2C)O
Standard InCHI	InChI=1S/C26H36O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,11-14,16-21,27,29-31H,7-9H2,1-5H3/t11-,12-,13+,14+,16-,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1
Standard InCHIKey	HGWAIHIPTWRNHL-QFWHAJIVSA-N
External Identifiers	ChEMBL [CHEMBL443898]; PubChem [11214625];
Reference of Component-Ingredient Pair	15165151

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC559
Formula: C15H10N2O2

Common Name	5-Methoxycanthinone
IUPAC Name	n.a.
Canonical SMILES	COc1cc2nccc3c2n(c1=O)c1ccccc31
Standard InCHI	InChI=1S/C15H10N2O2/c1-19-13-8-11-14-10(6-7-16-11)9-4-2-3-5-12(9)17(14)15(13)18/h2-8H,1H3
Standard InCHIKey	TXEFUSAHPIYZHD-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL508649]; PubChem [259218];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1214	Picrasma quassioides	Ku Mu	苦木
TCMH316	Ailanthi cortex	Chun Pi	椿皮
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子

Ingredient ID: TCMC5399
Formula: C37H50O18

Common Name	Yadanzioside O
IUPAC Name	methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-3-[(E)-4-acetyloxy-3-ethyl-4-methylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC2=C[C@@]3(C)[C@H]([C@@H](C2=O)C)C[C@@H]2[C@@]45[C@@H]3[C@@H](O)[C@H](O)[C@]([C@@H]5[C@H](C(=O)O2)OC(=O)/C=C(/C(OC(=O)C)(C)C)CC)(OC4)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C37H50O18/c1-8-16(34(4,5)55-15(3)39)9-21(40)54-27-29-36-13-50-37(29,33(48)49-7)30(46)26(45)28(36)35(6)11-18(22(41)14(2)17(35)10-20(36)53-31(27)47)51-32-25(44)24(43)23(42)19(12-38)52-32/h9,11,14,17,19-20,23-30,32,38,42-46H,8,10,12-13H2,1-7H3/b16-9+/t14-,17-,19+,20+,23+,24-,25+,26+,27+,28+,29+,30-,32+,35-,36+,37-/m0/s1
Standard InCHIKey	INEPMPYUXFBNMS-HRXLEDENSA-N
External Identifiers	ChEMBL [N/A]; PubChem [10417797];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC5394
Formula: C20H26O9

Common Name	Yadanziolide C
IUPAC Name	(1R,2R,3R,6R,8S,12R,13S,14R,15R,16S,17R)-2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
Canonical SMILES	CC1=CC(=O)[C@@H]([C@]2([C@H]1C[C@H]1OC(=O)[C@@H]([C@@]3([C@]41[C@@H]2[C@@H](O)[C@@H]([C@]3(OC4)C)O)O)O)C)O
Standard InCHI	InChI=1S/C20H26O9/c1-7-4-9(21)13(23)17(2)8(7)5-10-19-6-28-18(3,14(24)11(22)12(17)19)20(19,27)15(25)16(26)29-10/h4,8,10-15,22-25,27H,5-6H2,1-3H3/t8-,10+,11+,12+,13-,14-,15-,17-,18+,19+,20+/m0/s1
Standard InCHIKey	JBDMZGKDLMGOFR-CABQPPGUSA-N
External Identifiers	ChEMBL [N/A]; PubChem [10409280];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC5355
Formula: C20H26O10

Common Name	Bruceine H
IUPAC Name	(1R,2R,3R,6R,8S,12S,13S,14R,15R,16S,17R)-2,3,12,15,16-pentahydroxy-17-(hydroxymethyl)-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
Canonical SMILES	OC[C@@]12OC[C@]34[C@@]2(O)[C@@H](O)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)[C@H](O)C(=O)C=C2C
Standard InCHI	InChI=1S/C20H26O10/c1-7-3-9(22)13(24)17(2)8(7)4-10-18-6-29-19(5-21,14(25)11(23)12(17)18)20(18,28)15(26)16(27)30-10/h3,8,10-15,21,23-26,28H,4-6H2,1-2H3/t8-,10+,11+,12+,13+,14-,15-,17-,18+,19+,20-/m0/s1
Standard InCHIKey	QXKKRGMRXXMDDP-JVDXBALSSA-N
External Identifiers	ChEMBL [CHEMBL2037039]; PubChem [10320238];
Reference of Component-Ingredient Pair	20050684

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC5022
Formula: C39H72O5

Common Name	Anticancer Glycerol Ester Pmv70P691-119
IUPAC Name	[2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
Canonical SMILES	CCCCCCCC/C=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=CCCCCCCCC)O
Standard InCHI	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17-,20-18-
Standard InCHIKey	DRAWQKGUORNASA-CLFAGFIQSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5497165];
Reference of Component-Ingredient Pair	23043460

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC5007
Formula: C21H20O11

Common Name	Luteolin 7-O-Β-D-Galactoside
IUPAC Name	2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18+,19+,20-,21-/m1/s1
Standard InCHIKey	PEFNSGRTCBGNAN-OBJCFNGXSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5488493];
Reference of Component-Ingredient Pair	18720865

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC4969
Formula: C17H12N2O4

Common Name	Flazin
IUPAC Name	1-[5-(hydroxymethyl)furan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylic acid
Canonical SMILES	OCc1ccc(o1)c1nc(cc2c1[nH]c1c2cccc1)C(=O)[O-]
Standard InCHI	InChI=1S/C17H12N2O4/c20-8-9-5-6-14(23-9)16-15-11(7-13(19-16)17(21)22)10-3-1-2-4-12(10)18-15/h1-7,18,20H,8H2,(H,21,22)/p-1
Standard InCHIKey	USBWYUYKHHILLZ-UHFFFAOYSA-M
External Identifiers	ChEMBL [CHEMBL1822160]; PubChem [5377686];
Reference of Component-Ingredient Pair	18338618

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC495
Formula: C7H6O2

Common Name	4-Hydroxybenzaldehyde
IUPAC Name	4-hydroxybenzaldehyde
Canonical SMILES	O=Cc1ccc(cc1)O
Standard InCHI	InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
Standard InCHIKey	RGHHSNMVTDWUBI-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL14193]; PubChem [126];
Reference of Component-Ingredient Pair	23266278

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH611	Rubus idaeus	Fu Pen Zi	覆盆子
TCMH600	Euonymus fortunei	Fu Fang Teng	扶芳藤
TCMH2298	Cirsium arvense	Xiao Ji Tan	小蓟炭
TCMH271	Clerodendrum trichotomum	Chou Wu Tong Ye	臭梧桐叶
TCMH143	Albizia julibrissin	Bei He Huan	北合欢
TCMH123	Pteris semipinnata	Ban Bian Qi	半边旗
TCMH2513	Rhododendron mucronulatum	Ying Shan Hong	映山红
TCMH865	Carthamus tinctorius	Hong Hua	红花
TCMH438	Juncus effusus	Deng Xin Cao	灯心草
TCMH1498	Ranunculus ternatus	Mao Zhao Cao	猫爪草
TCMH25	Styrax benzoin	An Xi Xiang	安息香
TCMH2515	Papaver somniferum	Ying Su Ke	罂粟壳
TCMH1923	Acorus tatarinowii	Shi Chang Pu Qing Gao	石菖蒲清膏
TCMH213	Boschniakia rossica	Cao Cong Rong	草苁蓉
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH207	Fructus xanthii sibirici	Cang Er Zi Jin Gao Fen	苍耳子浸膏粉
TCMH860	Fructus galangae	Hong Dou Kou	红豆蔻
TCMH2090	Gastrodia elata	Tian Ma	天麻
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH193	Psoralea corylifolia	Bu Gu Zhi	补骨脂
TCMH2429	Bletilla striata	Yang Jiao Qi	羊角七
TCMH2195	Zaocys	Wu Shao She	乌梢蛇
TCMH1117	Rhizoma fagopyri cymosi	Jin Qiao Mai	金荞麦
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH1766	Sparganium stoloniferum	San Ling	三棱
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH2356	Daemonorops draco	Xue Xie	血蝎
TCMH1535	Equisetum hiemale	Mu Zei	木贼
TCMH1339	Phragmites communis	Lu Gen	芦根
TCMH1706	Dianthus superbus	Qu Mai	瞿麦
TCMH132	Scutellaria barbata	Ban Zhi Lian	半枝莲
TCMH2267	Periploca sepium	Xiang Jia Pi	香加皮
TCMH1305	Laggera alata	Liu Ling Ju	六棱菊
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH2069	Aconitum tanguticum	Tang Gu Te Wu Tou	唐古特乌头
TCMH2509	Epimedium brevicornum	Yin Yang Huo Jin Gao	淫羊藿浸膏
TCMH1086	Sambucus williamsii	Jie Gu Mu	接骨木
TCMH72	Bletilla striata	Bai Ji	白芨
TCMH278	Juncus effusus	Chuan Deng Xin Cao	川灯心草
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH270	Clerodendrum trichotomum	Chou Wu Tong	臭梧桐
TCMH206	Fructus xanthii sibirici	Cang Er Zi	苍耳子
TCMH2507	Epimedium brevicornum	Yin Yang Huo	淫羊藿
TCMH2508	Epimedium brevicornum	Yin Yang Huo Gan Gao Fen	淫羊藿干膏粉
TCMH1920	Acorus tatarinowii	Shi Chang Pu	石菖蒲
TCMH1922	Acorus tatarinowii	Shi Chang Pu Jin Gao	石菖蒲浸膏
TCMH1489	Papaver somniferum	Mi Ying Su Ke	蜜罂粟壳
TCMH2514	Papaver somniferum	Ying Su	罂粟

Ingredient ID: TCMC4453
Formula: C20H28O10

Common Name	Bruceine F
IUPAC Name	(1R,2R,3R,6R,8S,11S,12S,13S,14R,15R,16S,17R)-2,3,11,12,15,16-hexahydroxy-17-(hydroxymethyl)-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-4-one
Canonical SMILES	OC[C@@]12OC[C@]34[C@@]2(O)[C@@H](O)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)[C@H](O)[C@@H](O)C=C2C
Standard InCHI	InChI=1S/C20H28O10/c1-7-3-9(22)13(24)17(2)8(7)4-10-18-6-29-19(5-21,14(25)11(23)12(17)18)20(18,28)15(26)16(27)30-10/h3,8-15,21-26,28H,4-6H2,1-2H3/t8-,9-,10+,11+,12+,13+,14-,15-,17-,18+,19+,20-/m0/s1
Standard InCHIKey	JYTPGFZCXMNCDX-KIMQNEDBSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5315511];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC4452
Formula: C20H28O9

Common Name	Bruceine E
IUPAC Name	(1R,2R,3R,6R,8S,11S,12S,13S,14R,15R,16S,17R)-2,3,11,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-4-one
Canonical SMILES	O[C@H]1C=C(C)[C@H]2[C@@]([C@@H]1O)(C)[C@H]1[C@@H](O)[C@H](O)[C@@]3([C@]4([C@@]1([C@@H](C2)OC(=O)[C@@H]4O)CO3)O)C
Standard InCHI	InChI=1S/C20H28O9/c1-7-4-9(21)13(23)17(2)8(7)5-10-19-6-28-18(3,14(24)11(22)12(17)19)20(19,27)15(25)16(26)29-10/h4,8-15,21-25,27H,5-6H2,1-3H3/t8-,9-,10+,11+,12+,13+,14-,15-,17-,18+,19+,20+/m0/s1
Standard InCHIKey	ZBXITHPYBBXZRG-QYUWQHSUSA-N
External Identifiers	ChEMBL [CHEMBL2037038]; PubChem [5315510];
Reference of Component-Ingredient Pair	7246155

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC4451
Formula: C28H36O12

Common Name	Bruceine C
IUPAC Name	methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Canonical SMILES	COC(=O)[C@@]12OC[C@]34[C@H]2[C@@H](OC(=O)/C=C(/C(O)(C)C)C)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)CC(=O)C(=C2C)O
Standard InCHI	InChI=1S/C28H36O12/c1-11(25(3,4)36)7-16(30)40-19-21-27-10-38-28(21,24(35)37-6)22(33)18(32)20(27)26(5)9-14(29)17(31)12(2)13(26)8-15(27)39-23(19)34/h7,13,15,18-22,31-33,36H,8-10H2,1-6H3/b11-7+/t13-,15+,18+,19+,20+,21+,22-,26-,27+,28-/m0/s1
Standard InCHIKey	KCVFVYXSNLKEHU-UIJGDLPGSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5315509];
Reference of Component-Ingredient Pair	21822605

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC4317
Formula: C30H38O13

Common Name	Bruceantinol
IUPAC Name	methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Canonical SMILES	COC(=O)[C@@]12OC[C@]34[C@H]2[C@@H](OC(=O)/C=C(/C(OC(=O)C)(C)C)C)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)CC(=O)C(=C2C)O
Standard InCHI	InChI=1S/C30H38O13/c1-12(27(4,5)43-14(3)31)8-18(33)42-21-23-29-11-40-30(23,26(38)39-7)24(36)20(35)22(29)28(6)10-16(32)19(34)13(2)15(28)9-17(29)41-25(21)37/h8,15,17,20-24,34-36H,9-11H2,1-7H3/b12-8+/t15-,17+,20+,21+,22+,23+,24-,28-,29+,30-/m0/s1
Standard InCHIKey	SREUSBYRKOPNJK-AJPRWBMOSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5281305];
Reference of Component-Ingredient Pair	18986767

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC4195
Formula: C29H38O16

Common Name	Yadanzioside F
IUPAC Name	methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-3-acetyloxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC2=C[C@@]3(C)[C@H]([C@@H](C2=O)C)C[C@@H]2[C@@]45[C@@H]3[C@@H](O)[C@H](O)[C@]([C@@H]5[C@H](C(=O)O2)OC(=O)C)(OC4)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C29H38O16/c1-9-11-5-14-28-8-41-29(26(39)40-4,22(28)20(24(38)45-14)42-10(2)31)23(37)19(36)21(28)27(11,3)6-12(15(9)32)43-25-18(35)17(34)16(33)13(7-30)44-25/h6,9,11,13-14,16-23,25,30,33-37H,5,7-8H2,1-4H3/t9-,11-,13+,14+,16+,17-,18+,19+,20+,21+,22+,23-,25+,27-,28+,29-/m0/s1
Standard InCHIKey	BYBDRFPMKPUWDZ-NBVZOQEMSA-N
External Identifiers	ChEMBL [N/A]; PubChem [3000798];
Reference of Component-Ingredient Pair	2082013

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC4194
Formula: C32H42O16

Common Name	Bruceoside B
IUPAC Name	methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC2=C(C)[C@H]3[C@@](CC2=O)(C)[C@H]2[C@@H](O)[C@H](O)[C@@]4([C@H]5[C@@]2([C@@H](C3)OC(=O)[C@@H]5OC(=O)C=C(C)C)CO4)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C32H42O16/c1-11(2)6-17(35)47-23-25-31-10-44-32(25,29(42)43-5)26(40)21(39)24(31)30(4)8-14(34)22(12(3)13(30)7-16(31)46-27(23)41)48-28-20(38)19(37)18(36)15(9-33)45-28/h6,13,15-16,18-21,23-26,28,33,36-40H,7-10H2,1-5H3/t13-,15+,16+,18+,19-,20+,21+,23+,24+,25+,26-,28-,30-,31+,32-/m0/s1
Standard InCHIKey	JMEAKUYWADWLJX-PKMWWCJOSA-N
External Identifiers	ChEMBL [N/A]; PubChem [3000796];
Reference of Component-Ingredient Pair	2082013

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC3902
Formula: C20H18O8

Common Name	Cleomiscosin A
IUPAC Name	(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
Canonical SMILES	OC[C@H]1Oc2c(O[C@@H]1c1ccc(c(c1)OC)O)c(OC)cc1c2oc(=O)cc1
Standard InCHI	InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-20-18-11(4-6-16(23)27-18)8-14(25-2)19(20)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1
Standard InCHIKey	OCBGWPJNUZMLCA-NVXWUHKLSA-N
External Identifiers	ChEMBL [CHEMBL510091]; PubChem [442510];
Reference of Component-Ingredient Pair	15635230

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC3846
Formula: C32H42O16

Common Name	Bruceoside A
IUPAC Name	methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC2=C[C@@]3(C)[C@H]([C@@H](C2=O)C)C[C@@H]2[C@@]45[C@@H]3[C@@H](O)[C@H](O)[C@]([C@@H]5[C@H](C(=O)O2)OC(=O)C=C(C)C)(OC4)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C32H42O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h6,8,12-13,15-16,19-26,28,33,36-40H,7,9-10H2,1-5H3/t12-,13-,15+,16+,19+,20-,21+,22+,23+,24+,25+,26-,28+,30-,31+,32-/m0/s1
Standard InCHIKey	AKSGLPBROCFVSE-TUHDNREHSA-N
External Identifiers	ChEMBL [CHEMBL504960]; PubChem [441789];
Reference of Component-Ingredient Pair	12569845

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC3845
Formula: C20H26O9

Common Name	Bruceine D
IUPAC Name	(1R,2R,3R,6R,8S,12S,13S,14R,15R,16S,17R)-2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
Canonical SMILES	CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@H]1OC(=O)[C@@H]([C@@]3([C@]41[C@@H]2[C@@H](O)[C@@H]([C@]3(OC4)C)O)O)O)C)O
Standard InCHI	InChI=1S/C20H26O9/c1-7-4-9(21)13(23)17(2)8(7)5-10-19-6-28-18(3,14(24)11(22)12(17)19)20(19,27)15(25)16(26)29-10/h4,8,10-15,22-25,27H,5-6H2,1-3H3/t8-,10+,11+,12+,13+,14-,15-,17-,18+,19+,20+/m0/s1
Standard InCHIKey	JBDMZGKDLMGOFR-KQSRGDCESA-N
External Identifiers	ChEMBL [N/A]; PubChem [441788];
Reference of Component-Ingredient Pair	12569845

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC3364
Formula: C21H26O10

Common Name	Bruceolide
IUPAC Name	methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3,10,15,16-tetrahydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Canonical SMILES	COC(=O)[C@@]12OC[C@]34[C@H]2[C@@H](O)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)CC(=O)C(=C2C)O
Standard InCHI	InChI=1S/C21H26O10/c1-7-8-4-10-20-6-30-21(18(28)29-3,15(20)13(25)17(27)31-10)16(26)12(24)14(20)19(8,2)5-9(22)11(7)23/h8,10,12-16,23-26H,4-6H2,1-3H3/t8-,10+,12+,13+,14+,15+,16-,19-,20+,21-/m0/s1
Standard InCHIKey	YLWQKYSDNGHLAO-PWRINDRCSA-N
External Identifiers	ChEMBL [CHEMBL140588]; PubChem [99531];
Reference of Component-Ingredient Pair	3325613

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC3252
Formula: C26H32O11

Common Name	Brusatol
IUPAC Name	methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Canonical SMILES	COC(=O)[C@@]12OC[C@]34[C@H]2[C@@H](OC(=O)C=C(C)C)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)CC(=O)C(=C2C)O
Standard InCHI	InChI=1S/C26H32O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,12,14,17-21,29-31H,7-9H2,1-5H3/t12-,14+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1
Standard InCHIKey	ZZZYHIMVKOHVIH-VILODJCFSA-N
External Identifiers	ChEMBL [N/A]; PubChem [73432];
Reference of Component-Ingredient Pair	29274434

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC2798
Formula: C28H36O12

Common Name	Bruceine C
IUPAC Name	n.a.
Canonical SMILES	COC(=O)[C@]12OC[C@]34[C@H]2[C@@H](OC(=O)/C=C(/C(O)(C)C)C)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)CC(=O)C(=C2C)O
Standard InCHI	InChI=1S/C28H36O12/c1-11(25(3,4)36)7-16(30)40-19-21-27-10-38-28(21,24(35)37-6)22(33)18(32)20(27)26(5)9-14(29)17(31)12(2)13(26)8-15(27)39-23(19)34/h7,13,15,18-22,31-33,36H,8-10H2,1-6H3/b11-7+/t13-,15+,18+,19+,20+,21+,22-,26-,27+,28+/m0/s1
Standard InCHIKey	KCVFVYXSNLKEHU-MBKFLBLHSA-N
External Identifiers	ChEMBL [CHEMBL455759]; PubChem [44584512];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC2746
Formula: C29H38O16

Common Name	Yadanzioside F
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](OC2=C[C@@]3(C)[C@H]([C@@H](C2=O)C)C[C@@H]2[C@@]45[C@@H]3[C@@H](O)[C@H](O)[C@@]([C@@H]5[C@H](C(=O)O2)OC(=O)C)(OC4)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C29H38O16/c1-9-11-5-14-28-8-41-29(26(39)40-4,22(28)20(24(38)45-14)42-10(2)31)23(37)19(36)21(28)27(11,3)6-12(15(9)32)43-25-18(35)17(34)16(33)13(7-30)44-25/h6,9,11,13-14,16-23,25,30,33-37H,5,7-8H2,1-4H3/t9-,11-,13+,14+,16+,17-,18+,19+,20+,21+,22+,23-,25+,27-,28+,29+/m0/s1
Standard InCHIKey	BYBDRFPMKPUWDZ-FDSGHLLVSA-N
External Identifiers	ChEMBL [CHEMBL509907]; PubChem [44584516];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC2721
Formula: C20H26O10

Common Name	Yadanziolide A
IUPAC Name	n.a.
Canonical SMILES	OC[C@]12OC[C@]34[C@@]2(O)[C@@H](O)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)[C@H](O)C(=O)C=C2C
Standard InCHI	InChI=1S/C20H26O10/c1-7-3-9(22)13(24)17(2)8(7)4-10-18-6-29-19(5-21,14(25)11(23)12(17)18)20(18,28)15(26)16(27)30-10/h3,8,10-15,21,23-26,28H,4-6H2,1-2H3/t8-,10+,11+,12+,13+,14-,15-,17-,18+,19-,20-/m0/s1
Standard InCHIKey	QXKKRGMRXXMDDP-MEBQBWJOSA-N
External Identifiers	ChEMBL [CHEMBL478566]; PubChem [44584514];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC2694
Formula: C20H24O6

Common Name	Isolariciresinol
IUPAC Name	(6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
Canonical SMILES	OC[C@@H]1Cc2cc(OC)c(cc2[C@@H]([C@H]1CO)c1ccc(c(c1)OC)O)O
Standard InCHI	InChI=1S/C20H24O6/c1-25-18-6-11(3-4-16(18)23)20-14-8-17(24)19(26-2)7-12(14)5-13(9-21)15(20)10-22/h3-4,6-8,13,15,20-24H,5,9-10H2,1-2H3/t13-,15-,20-/m0/s1
Standard InCHIKey	OGFXBIXJCWAUCH-KPHUOKFYSA-N
External Identifiers	ChEMBL [CHEMBL399512]; PubChem [160521];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH86	Ampelopsis japonica	Bai Lian	白蔹
TCMH2367	Linum usitatissimum	Ya Ma Zi	亚麻子
TCMH2580	Coptis chinensis	Ze Xi Huang Lian	择细黄连
TCMH2166	Clematis chinensis	Wei Ling Xian	威灵仙
TCMH2218	Rubia cordifolia	Qian Cao Teng	茜草藤
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH1894	Pinellia ternata	Sheng Ban Xia	生半夏
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH1735	Kummerowia striata	Ren Zi Cao	人字草
TCMH1452	Gerbera piloselloides	Mao Da Ding Cao	毛大丁草
TCMH1272	Forsythia suspensa	Lian Qiao	连翘
TCMH1086	Sambucus williamsii	Jie Gu Mu	接骨木
TCMH483	Kummerowia striata	Ding Kui Cao	丁葵草
TCMH1039	Kummerowia striata	Ji Yan Cao	鸡眼草
TCMH130	Pinellia ternata	Ban Xia	半夏
TCMH131	Pinellia ternata	Ban Xia Qu	半夏曲
TCMH1677	Pinellia ternata	Qing Ban Xia	清半夏
TCMH1943	Punica granatum	Shi Liu	石榴
TCMH1944	Punica granatum	Shi Liu Pi	石榴皮
TCMH1945	Punica granatum	Shi Liu Zi	石榴子
TCMH283	Coptis chinensis	Chuan Huang Lian	川黄连
TCMH972	Coptis chinensis	Huang Lian	黄连
TCMH973	Coptis chinensis	Huang Lian Gan Jin Gao	黄连干浸膏
TCMH975	Coptis chinensis	Huang Lian Xu	黄连须
TCMH1064	Coptis chinensis	Jiang Huang Lian	姜黄连
TCMH1161	Coptis chinensis	Jiu Huang Lian	酒黄连
TCMH2330	Coptis chinensis	Xiong Huang Lian	雄黄连
TCMH2531	Coptis chinensis	Yu Huang Lian	萸黄连
TCMH92	Gerbera piloselloides	Bai Mei	白眉
TCMH2164	Clematis chinensis	Wei Ling	威灵

Ingredient ID: TCMC2656
Formula: C14H8N2O2

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O=n1ccc2c3c1ccc(=O)n3c1c2cccc1
Standard InCHI	InChI=1S/C14H8N2O2/c17-13-6-5-12-14-10(7-8-15(12)18)9-3-1-2-4-11(9)16(13)14/h1-8H
Standard InCHIKey	PMKULNRVYULJPO-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL452235]; PubChem [9991699];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子

Ingredient ID: TCMC2650
Formula: C12H14O4

Common Name	Dillapiole
IUPAC Name	4,5-dimethoxy-6-prop-2-enyl-1,3-benzodioxole
Canonical SMILES	C=CCc1cc2OCOc2c(c1OC)OC
Standard InCHI	InChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4,6H,1,5,7H2,2-3H3
Standard InCHIKey	LIKYNOPXHGPMIH-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL470874]; PubChem [10231];
Reference of Component-Ingredient Pair	21534888

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH907	Piper nigrum	Hu Jiao	胡椒
TCMH307	Cnidium officinale	Chuan Xiong Jin Gao	川芎浸膏
TCMH2072	Rhodomyrtus tomentosa	Tao Jin Niang Gen	桃金娘根
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH670	Ligusticum sinense	Gao Ben	藁本
TCMH1000	Foeniculum vulgare	Hui Xiang	茴香
TCMH2213	Ipomoea cairica	Wu Zhao Long	五爪龙
TCMH668	Rhodomyrtus tomentosa	Gang Ren Zi	岗稔子
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒
TCMH305	Cnidium officinale	Chuan Xiong	川芎

Ingredient ID: TCMC2623
Formula: C28H36O11

Common Name	Bruceantin
IUPAC Name	n.a.
Canonical SMILES	COC(=O)[C@@]12OC[C@]34[C@H]2[C@@H](OC(=O)/C=C(/C(C)C)C)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)CC(=O)C(=C2C)O
Standard InCHI	InChI=1S/C28H36O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,11,14,16,19-23,31-33H,8-10H2,1-6H3/b12-7+/t14-,16+,19+,20+,21+,22+,23-,26-,27+,28-/m0/s1
Standard InCHIKey	IRQXZTBHNKVIRL-GOTQHHPNSA-N
External Identifiers	ChEMBL [CHEMBL509895]; PubChem [5281304];
Reference of Component-Ingredient Pair	27434731

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC2536
Formula: C15H10N2O3

Common Name	Picrasidine Q
IUPAC Name	n.a.
Canonical SMILES	COc1c(O)c2nccc3c2n(c1=O)c1ccccc31
Standard InCHI	InChI=1S/C15H10N2O3/c1-20-14-13(18)11-12-9(6-7-16-11)8-4-2-3-5-10(8)17(12)15(14)19/h2-7,18H,1H3
Standard InCHIKey	HJFNTSGIQCFHGP-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL2229716]; PubChem [54714262];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1214	Picrasma quassioides	Ku Mu	苦木
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子

Ingredient ID: TCMC2471
Formula: C26H32O11

Common Name	Brusatol
IUPAC Name	n.a.
Canonical SMILES	COC(=O)[C@]12OC[C@]34[C@H]2[C@@H](OC(=O)C=C(C)C)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)CC(=O)C(=C2C)O
Standard InCHI	InChI=1S/C26H32O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,12,14,17-21,29-31H,7-9H2,1-5H3/t12-,14+,17+,18+,19+,20+,21-,24-,25+,26+/m0/s1
Standard InCHIKey	ZZZYHIMVKOHVIH-MWFXHRFLSA-N
External Identifiers	ChEMBL [CHEMBL450464]; PubChem [12302104];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC2443
Formula: C26H34O11

Common Name	Bruceine A
IUPAC Name	n.a.
Canonical SMILES	COC(=O)[C@@]12OC[C@]34[C@H]2[C@@H](OC(=O)CC(C)C)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)CC(=O)C(=C2C)O
Standard InCHI	InChI=1S/C26H34O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h10,12,14,17-21,29-31H,6-9H2,1-5H3/t12-,14+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1
Standard InCHIKey	LPZSTPCYWWRQFU-VILODJCFSA-N
External Identifiers	ChEMBL [CHEMBL250451]; PubChem [160006];
Reference of Component-Ingredient Pair	19194074

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC2437
Formula: C23H28O11

Common Name	Bruceine B
IUPAC Name	n.a.
Canonical SMILES	COC(=O)[C@@]12OC[C@]34[C@H]2[C@@H](OC(=O)C)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)CC(=O)C(=C2C)O
Standard InCHI	InChI=1S/C23H28O11/c1-8-10-5-12-22-7-32-23(20(30)31-4,17(22)15(19(29)34-12)33-9(2)24)18(28)14(27)16(22)21(10,3)6-11(25)13(8)26/h10,12,14-18,26-28H,5-7H2,1-4H3/t10-,12+,14+,15+,16+,17+,18-,21-,22+,23-/m0/s1
Standard InCHIKey	YDWODLQEUPYKGJ-LZFWDZGBSA-N
External Identifiers	ChEMBL [CHEMBL140809]; PubChem [161496];
Reference of Component-Ingredient Pair	9187964

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC2376
Formula: C30H38O13

Common Name	Bruceantinol
IUPAC Name	n.a.
Canonical SMILES	COC(=O)[C@]12OC[C@]34[C@H]2[C@@H](OC(=O)/C=C(/C(OC(=O)C)(C)C)C)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)CC(=O)C(=C2C)O
Standard InCHI	InChI=1S/C30H38O13/c1-12(27(4,5)43-14(3)31)8-18(33)42-21-23-29-11-40-30(23,26(38)39-7)24(36)20(35)22(29)28(6)10-16(32)19(34)13(2)15(28)9-17(29)41-25(21)37/h8,15,17,20-24,34-36H,9-11H2,1-7H3/b12-8+/t15-,17+,20+,21+,22+,23+,24-,28-,29+,30+/m0/s1
Standard InCHIKey	SREUSBYRKOPNJK-UPVZWEQISA-N
External Identifiers	ChEMBL [CHEMBL450145]; PubChem [44584511];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC2359
Formula: C20H26O9

Common Name	Bruceine D
IUPAC Name	n.a.
Canonical SMILES	CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@H]1OC(=O)[C@@H]([C@@]3([C@]41[C@@H]2[C@@H](O)[C@@H]([C@@]3(OC4)C)O)O)O)C)O
Standard InCHI	InChI=1S/C20H26O9/c1-7-4-9(21)13(23)17(2)8(7)5-10-19-6-28-18(3,14(24)11(22)12(17)19)20(19,27)15(25)16(26)29-10/h4,8,10-15,22-25,27H,5-6H2,1-3H3/t8-,10+,11+,12+,13+,14-,15-,17-,18-,19+,20+/m0/s1
Standard InCHIKey	JBDMZGKDLMGOFR-DFEKUIMESA-N
External Identifiers	ChEMBL [CHEMBL477693]; PubChem [122784];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC2345
Formula: C29H38O16

Common Name	Yadanzioside I
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](OC2=C(C)[C@H]3[C@@](CC2=O)(C)[C@H]2[C@@H](O)[C@H](O)[C@]4([C@H]5[C@@]2([C@@H](C3)OC(=O)[C@@H]5OC(=O)C)CO4)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C29H38O16/c1-9-11-5-14-28-8-41-29(26(39)40-4,22(28)20(24(38)44-14)42-10(2)31)23(37)18(36)21(28)27(11,3)6-12(32)19(9)45-25-17(35)16(34)15(33)13(7-30)43-25/h11,13-18,20-23,25,30,33-37H,5-8H2,1-4H3/t11-,13+,14+,15+,16-,17+,18+,20+,21+,22+,23-,25-,27-,28+,29+/m0/s1
Standard InCHIKey	QVXFIBXCQCYPLP-WQZWDNGFSA-N
External Identifiers	ChEMBL [CHEMBL506706]; PubChem [10484290];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC2223
Formula: C8H8O3

Common Name	Vanillin
IUPAC Name	4-hydroxy-3-methoxybenzaldehyde
Canonical SMILES	COc1cc(C=O)ccc1O
Standard InCHI	InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
Standard InCHIKey	MWOOGOJBHIARFG-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL13883]; PubChem [1183];
Reference of Component-Ingredient Pair	22980836

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1862	Cornus officinalis	Shan Zhu Yu	山茱萸
TCMH611	Rubus idaeus	Fu Pen Zi	覆盆子
TCMH600	Euonymus fortunei	Fu Fang Teng	扶芳藤
TCMH914	Sesamum indicum	Hu Ma Ren	胡麻仁
TCMH1063	Curcuma longa	Jiang Huang	姜黄
TCMH2407	Bupleurum chinense	Yan Tai Chai Hu	烟台柴胡
TCMH2130	Rumex obtusifolius	Tu Da Huang	土大黄
TCMH2495	Artemisia capillaris	Yin Chen Hao Gan Jin Gao	茵陈蒿干浸膏
TCMH271	Clerodendrum trichotomum	Chou Wu Tong Ye	臭梧桐叶
TCMH143	Albizia julibrissin	Bei He Huan	北合欢
TCMH2513	Rhododendron mucronulatum	Ying Shan Hong	映山红
TCMH2040	Liquidambar orientalis	Su He Xiang	苏合香
TCMH2146	Gynura segetum	Tu San Qi	土三七
TCMH1633	Taraxacum mongolicum	Pu Gong Ying Jin Gao	蒲公英浸膏
TCMH2538	Zea mays	Yu Mi Xu	玉米须
TCMH307	Cnidium officinale	Chuan Xiong Jin Gao	川芎浸膏
TCMH316	Ailanthi cortex	Chun Pi	椿皮
TCMH522	Vanilla planifolia	Du Jiao Qiu	独脚球
TCMH25	Styrax benzoin	An Xi Xiang	安息香
TCMH1212	Melia azedarach	Ku Lian Zi	苦楝子
TCMH1409	Cannabis sativa	Ma Ren	麻仁
TCMH213	Boschniakia rossica	Cao Cong Rong	草苁蓉
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1432	Vitex trifolia	Man Jing Zi	蔓荆子
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH2090	Gastrodia elata	Tian Ma	天麻
TCMH95	Aquilaria sinensis	Bai Mu Xiang	白木香
TCMH859	Ormosia hosiei	Hong Dou	红豆
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH685	Syzygium aromaticum	Gong Ding Xiang	公丁香
TCMH1966	Rehmannia glutinosa	Shu Di Huang	熟地黄
TCMH670	Ligusticum sinense	Gao Ben	藁本
TCMH1660	Senecio scandens	Qian Li Guang	千里光
TCMH2066	Santalum album	Tan Xiang	檀香
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH1535	Equisetum hiemale	Mu Zei	木贼
TCMH710	Trichosanthes kirilowii maxim	Gua Lou Zi	瓜蒌子
TCMH2314	Conioselinum vaginatum	Xin Jiang Gao Ben	新疆藁本
TCMH906	Viscum coloratum	Hu Ji Sheng	槲寄生
TCMH2267	Periploca sepium	Xiang Jia Pi	香加皮
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH2553	Scrophularia ningpoensis	Yuan Shen	元参
TCMH2069	Aconitum tanguticum	Tang Gu Te Wu Tou	唐古特乌头
TCMH1777	Panax notoginseng	San Qi Ye Jing	三七叶茎
TCMH1846	Artemisia capillaris	Shan Yin Chen	山茵陈
TCMH2154	Artemisia capillaris	Tu Yin Chen Hao	土茵陈蒿
TCMH2494	Artemisia capillaris	Yin Chen Hao	茵陈蒿
TCMH1175	Cornus officinalis	Jiu Yu Rou	酒萸肉
TCMH1150	Gynura segetum	Jing Tian San Qi	景天三七
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH270	Clerodendrum trichotomum	Chou Wu Tong	臭梧桐
TCMH310	Melia azedarach	Chuan Lian	川楝
TCMH1211	Melia azedarach	Ku Lian Pi	苦楝皮
TCMH1431	Vitex trifolia	Man Jing Ye	蔓荆叶
TCMH1770	Panax notoginseng	San Qi Gan Jin Gao	三七干浸膏
TCMH1771	Panax notoginseng	San Qi Gao Fen	三七膏粉
TCMH1772	Panax notoginseng	San Qi Hua	三七花
TCMH1774	Panax notoginseng	San Qi Jing Ye	三七茎叶
TCMH1776	Panax notoginseng	San Qi Ye	三七叶
TCMH309	Curcuma longa	Chuan Yu Jin	川郁金
TCMH848	Sesamum indicum	Hei Zhi Ma	黑芝麻
TCMH913	Sesamum indicum	Hu Ma	胡麻
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH978	Taraxacum mongolicum	Huang Miao	黄苗
TCMH1632	Taraxacum mongolicum	Pu Gong Ying	蒲公英
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
TCMH228	Bupleurum chinense	Chai Hu	柴胡
TCMH229	Bupleurum chinense	Chai Hu Jin Gao	柴胡浸膏
TCMH230	Bupleurum chinense	Chai Hu Shao	柴胡梢
TCMH305	Cnidium officinale	Chuan Xiong	川芎
TCMH486	Syzygium aromaticum	Ding Xiang	丁香
TCMH1005	Cannabis sativa	Huo Ma Ren	火麻仁
TCMH8	Rehmannia glutinosa	Ai Di Huang	矮地黄
TCMH451	Rehmannia glutinosa	Di Huang	地黄
TCMH453	Rehmannia glutinosa	Di Huang Tan	地黄炭
TCMH643	Rehmannia glutinosa	Gan Di Huang	干地黄
TCMH2343	Scrophularia ningpoensis	Xuan Shen	玄参

Ingredient ID: TCMC2222
Formula: C8H8O4

Common Name	Vanillic Acid
IUPAC Name	4-hydroxy-3-methoxybenzoic acid
Canonical SMILES	COc1cc(ccc1O)C(=O)O
Standard InCHI	InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
Standard InCHIKey	WKOLLVMJNQIZCI-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL120568]; PubChem [8468];
Reference of Component-Ingredient Pair	23800587

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH600	Euonymus fortunei	Fu Fang Teng	扶芳藤
TCMH914	Sesamum indicum	Hu Ma Ren	胡麻仁
TCMH211	Atractylodes lancea	Cang Zhu	苍术
TCMH334	Allium fistulosum	Cong Bai	葱白
TCMH2563	Polysaccharidum versicolor	Yun Zhi	云芝
TCMH237	Acorus calamus	Chang Pu	菖蒲
TCMH382	Allium sativum	Da Suan	大蒜
TCMH1865	Paeonia obovata	Shao Yao	芍药
TCMH2580	Coptis chinensis	Ze Xi Huang Lian	择细黄连
TCMH2506	Ginkgo biloba	Yin Xing Ye	银杏叶
TCMH1011	Sargentodoxa cuneata	Huo Xue Teng	活血藤
TCMH2166	Clematis chinensis	Wei Ling Xian	威灵仙
TCMH271	Clerodendrum trichotomum	Chou Wu Tong Ye	臭梧桐叶
TCMH1693	Aristolochia debilis	Qing Mu Xiang	青木香
TCMH537	Centipeda minima	E Bu Shi Cao Nong Suo Ye	鹅不食草浓缩液
TCMH241	Plantago asiatica	Che Qian Zi	车前子
TCMH2513	Rhododendron mucronulatum	Ying Shan Hong	映山红
TCMH2040	Liquidambar orientalis	Su He Xiang	苏合香
TCMH2134	Smilax glabra	Tu Fu Ling	土茯苓
TCMH865	Carthamus tinctorius	Hong Hua	红花
TCMH2145	Achyranthes aspera	Tu Niu Xi	土牛膝
TCMH1186	Lycium chinense	Gou Qi Zi	枸杞子
TCMH2538	Zea mays	Yu Mi Xu	玉米须
TCMH733	Desmodium styracifolium	Guang Jin Qian Cao	广金钱草
TCMH765	Entada phaseoloides	Guo Gang Long Jin Gao	过岗龙浸膏
TCMH2642	Gardenia jasminoides	Zhi Zi Jin Gao	栀子浸膏
TCMH2137	Pogostemon cablin	Tu Huo Xiang	土藿香
TCMH2072	Rhodomyrtus tomentosa	Tao Jin Niang Gen	桃金娘根
TCMH1146	Oryza sativa	Jing Mi	粳米
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH1498	Ranunculus ternatus	Mao Zhao Cao	猫爪草
TCMH25	Styrax benzoin	An Xi Xiang	安息香
TCMH2382	Naja naja	Yan Jing She	眼镜蛇
TCMH285	Dioscorea nipponica	Chuan Long Shu Yu	穿龙薯蓣
TCMH985	Astragalus membranaceus	Huang Qi Ti Qu Ye	黄芪提取液
TCMH2515	Papaver somniferum	Ying Su Ke	罂粟壳
TCMH1212	Melia azedarach	Ku Lian Zi	苦楝子
TCMH2436	Elaeagnus pungens	Yang Nai Nai Ye	羊奶奶叶
TCMH213	Boschniakia rossica	Cao Cong Rong	草苁蓉
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1105	Trollius chinensis	Jin Lian Hua	金莲花
TCMH1499	Changium smyrnioides	Ming Dang Shen	明党参
TCMH748	Euonymus alatus	Gui Jian Yu	鬼箭羽
TCMH1825	Litsea cubeba	Shan Jiang Zi	山姜子
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH699	Eriocaulon buergerianum	Gu Jing Cao	谷精草
TCMH409	Salvia miltiorrhiza	Dan Shen Jin Gao	丹参浸膏
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH1299	Ganoderma lucidum	Ling Zhi(1)	灵芝
TCMH1322	Solanum nigrum	Long Kui	龙葵
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1432	Vitex trifolia	Man Jing Zi	蔓荆子
TCMH905	Picrorhiza kurrooa	Hu Huang Lian	胡黄连
TCMH2090	Gastrodia elata	Tian Ma	天麻
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH1930	Umbilicaria esculenta	Shi Er	石耳
TCMH2659	Poria cocos	Zhu Fu Shen	朱茯神
TCMH1601	Nelumbo nucifera	Ou Pian	藕片
TCMH1197	Selaginella tamariscina	Juan Bai	卷柏
TCMH37	Smilax china	Ba Qia	菝葜
TCMH1518	Chaenomeles sinensis	Mu Gua	木瓜
TCMH1798	Morus alba	Sang Zhi	桑枝
TCMH670	Ligusticum sinense	Gao Ben	藁本
TCMH2086	Trichosanthes kirilowii	Tian Hua Fen	天花粉
TCMH1371	Arachis hypogaea	Luo Hua Sheng Zhi Ye	落花生枝叶
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH2452	Chrysanthemum indicum	Ye Ju Hua	野菊花
TCMH1539	Cucurbita moschata	Nan Gua	南瓜
TCMH1766	Sparganium stoloniferum	San Ling	三棱
TCMH1032	Impatiens balsamina	Ji Xing Zi	急性子
TCMH1660	Senecio scandens	Qian Li Guang	千里光
TCMH2066	Santalum album	Tan Xiang	檀香
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH314	Ailanthus altissima	Chun Gen Pi	椿根皮
TCMH2101	Eupatorium rebaudianum	Tian Ye Ju	甜叶菊
TCMH494	Cordyceps sinensis	Dong Chong Xia Cao	冬虫夏草
TCMH710	Trichosanthes kirilowii maxim	Gua Lou Zi	瓜蒌子
TCMH1339	Phragmites communis	Lu Gen	芦根
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH1466	Rosa rugosa	Mei Gui Hua	玫瑰花
TCMH936	Platycarya strobilacea	Hua Xiang Shu Guo Xu	化香树果序
TCMH1272	Forsythia suspensa	Lian Qiao	连翘
TCMH2536	Prunus japonica	Yu Li Ren	郁李仁
TCMH132	Scutellaria barbata	Ban Zhi Lian	半枝莲
TCMH1635	Typha angustata	Pu Huang Jin Gao	蒲黄浸膏
TCMH1804	Amomum villosum	Sha Ren Ye	砂仁叶
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH35	Dysosma versipellis	Ba Jiao Lian	八角莲
TCMH1437	Rhododendron dauricum	Man Shan Hong	满山红
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH2069	Aconitum tanguticum	Tang Gu Te Wu Tou	唐古特乌头
TCMH1086	Sambucus williamsii	Jie Gu Mu	接骨木
TCMH385	Sargentodoxa cuneata	Da Xue Teng	大血藤
TCMH590	Impatiens balsamina	Feng Xian Hua	凤仙花
TCMH591	Impatiens balsamina	Feng Xian Tou Gu Cao	凤仙透骨草
TCMH1803	Amomum villosum	Sha Ren	砂仁
TCMH668	Rhodomyrtus tomentosa	Gang Ren Zi	岗稔子
TCMH918	Elaeagnus pungens	Hu Tui Zi Ye	胡颓子叶
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH764	Entada phaseoloides	Guo Gang Long	过岗龙
TCMH1185	Lycium chinense	Gou Qi	枸杞
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH270	Clerodendrum trichotomum	Chou Wu Tong	臭梧桐
TCMH310	Melia azedarach	Chuan Lian	川楝
TCMH1211	Melia azedarach	Ku Lian Pi	苦楝皮
TCMH431	Achyranthes aspera	Dao Kou Cao	倒扣草
TCMH1943	Punica granatum	Shi Liu	石榴
TCMH1944	Punica granatum	Shi Liu Pi	石榴皮
TCMH1945	Punica granatum	Shi Liu Zi	石榴子
TCMH1431	Vitex trifolia	Man Jing Ye	蔓荆叶
TCMH258	Paeonia obovata	Chi Shao	赤芍
TCMH705	Trichosanthes kirilowii	Gua Lou	瓜蒌
TCMH706	Trichosanthes kirilowii	Gua Lou Pi	瓜蒌皮
TCMH707	Trichosanthes kirilowii	Gua Lou Ren	瓜蒌仁
TCMH708	Trichosanthes kirilowii	Gua Lou Ren Shuang	瓜蒌仁霜
TCMH709	Trichosanthes kirilowii	Gua Lou Shi	栝蒌实
TCMH711	Trichosanthes kirilowii	Gua Lou Gen	栝楼根
TCMH712	Trichosanthes kirilowii	Gua Lou Ren(1)	栝楼仁
TCMH848	Sesamum indicum	Hei Zhi Ma	黑芝麻
TCMH913	Sesamum indicum	Hu Ma	胡麻
TCMH981	Astragalus membranaceus	Huang Qi	黄芪
TCMH983	Astragalus membranaceus	Huang Qi Gan Jin Gao	黄芪干浸膏
TCMH984	Astragalus membranaceus	Huang Qi Jin Gao	黄芪浸膏
TCMH1397	Aristolochia debilis	Ma Dou Ling	马兜铃
TCMH1296	Ganoderma lucidum	Ling Zhi Jin Gao	灵芝浸膏
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH935	Platycarya strobilacea	Hua Xiang Shu Guo	化香树果
TCMH1792	Morus alba	Sang Pi	桑皮
TCMH1797	Morus alba	Sang Ye	桑叶
TCMH511	Litsea cubeba	Dou Chi Jiang	豆豉姜
TCMH1812	Litsea cubeba	Shan Cang Zi	山苍子
TCMH519	Pogostemon cablin	Du Huo Xiang	杜藿香
TCMH728	Pogostemon cablin	Guang Huo Xiang	广藿香
TCMH1008	Pogostemon cablin	Huo Xiang	藿香
TCMH1009	Pogostemon cablin	Huo Xiang Ye	藿香叶
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH61	Ginkgo biloba	Bai Guo Ren	白果仁
TCMH256	Wolfiporia cocos	Chi Fu Ling	赤茯苓
TCMH606	Wolfiporia cocos	Fu Ling	茯苓
TCMH814	Nelumbo nucifera	He Geng	荷梗
TCMH825	Nelumbo nucifera	He Ye	荷叶
TCMH1275	Nelumbo nucifera	Lian Zi	莲子
TCMH1276	Nelumbo nucifera	Lian Zi Xin	莲子心
TCMH1598	Nelumbo nucifera	Ou	藕
TCMH1599	Nelumbo nucifera	Ou Fen	藕粉
TCMH930	Arachis hypogaea	Hua Sheng	花生
TCMH931	Arachis hypogaea	Hua Sheng Mi	花生米
TCMH1634	Typha angustata	Pu Huang	蒲黄
TCMH283	Coptis chinensis	Chuan Huang Lian	川黄连
TCMH972	Coptis chinensis	Huang Lian	黄连
TCMH973	Coptis chinensis	Huang Lian Gan Jin Gao	黄连干浸膏
TCMH975	Coptis chinensis	Huang Lian Xu	黄连须
TCMH1064	Coptis chinensis	Jiang Huang Lian	姜黄连
TCMH1161	Coptis chinensis	Jiu Huang Lian	酒黄连
TCMH2330	Coptis chinensis	Xiong Huang Lian	雄黄连
TCMH2531	Coptis chinensis	Yu Huang Lian	萸黄连
TCMH407	Salvia miltiorrhiza	Dan Shen	丹参
TCMH408	Salvia miltiorrhiza	Dan Shen Gan Jin Gao	丹参干浸膏
TCMH2164	Clematis chinensis	Wei Ling	威灵
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参
TCMH536	Centipeda minima	E Bu Shi Cao	鹅不食草
TCMH1489	Papaver somniferum	Mi Ying Su Ke	蜜罂粟壳
TCMH2514	Papaver somniferum	Ying Su	罂粟
TCMH1856	Gardenia jasminoides	Shan Zhi	山栀
TCMH2641	Gardenia jasminoides	Zhi Zi	栀子

Ingredient ID: TCMC2105
Formula: C18H36O2

Common Name	Stearic Acid
IUPAC Name	octadecanoic acid
Canonical SMILES	CCCCCCCCCCCCCCCCCC(=O)O
Standard InCHI	InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
Standard InCHIKey	QIQXTHQIDYTFRH-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL46403]; PubChem [5281];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1862	Cornus officinalis	Shan Zhu Yu	山茱萸
TCMH2367	Linum usitatissimum	Ya Ma Zi	亚麻子
TCMH907	Piper nigrum	Hu Jiao	胡椒
TCMH1063	Curcuma longa	Jiang Huang	姜黄
TCMH2407	Bupleurum chinense	Yan Tai Chai Hu	烟台柴胡
TCMH1939	Combretum indicum	Shi Jun Zi Ren	使君子仁
TCMH1987	Silybum marianum	Shui Fei Ji	水飞蓟
TCMH1240	Raphanus sativus	Lai Fu Zi	莱菔子
TCMH1264	Litchi chinensis	Li Zhi He	荔枝核
TCMH2506	Ginkgo biloba	Yin Xing Ye	银杏叶
TCMH2495	Artemisia capillaris	Yin Chen Hao Gan Jin Gao	茵陈蒿干浸膏
TCMH143	Albizia julibrissin	Bei He Huan	北合欢
TCMH953	Aconitum vilmorinianum	Huang Cao Wu	黄草乌
TCMH2201	Securidaca inappendiculata	Wu Wei Teng	五味藤
TCMH241	Plantago asiatica	Che Qian Zi	车前子
TCMH2144	Inula helenium	Tu Mu Xiang	土木香
TCMH2134	Smilax glabra	Tu Fu Ling	土茯苓
TCMH1633	Taraxacum mongolicum	Pu Gong Ying Jin Gao	蒲公英浸膏
TCMH865	Carthamus tinctorius	Hong Hua	红花
TCMH1186	Lycium chinense	Gou Qi Zi	枸杞子
TCMH1740	Cistanche deserticola	Rou Cong Rong	肉苁蓉
TCMH733	Desmodium styracifolium	Guang Jin Qian Cao	广金钱草
TCMH2703	Fritillaria unibracteata	Zi Bei Mu	紫贝母
TCMH2185	Acanthopanax gracilistylus	Wu Jia Pi	五加皮
TCMH1709	Buthus martensi	Quan Xie	全蝎
TCMH2137	Pogostemon cablin	Tu Huo Xiang	土藿香
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH1498	Ranunculus ternatus	Mao Zhao Cao	猫爪草
TCMH1212	Melia azedarach	Ku Lian Zi	苦楝子
TCMH2556	Polygala tenuifolia	Yuan Zhi Liu Jin Gao	远志流浸膏
TCMH1409	Cannabis sativa	Ma Ren	麻仁
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1105	Trollius chinensis	Jin Lian Hua	金莲花
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH1111	Polygala glomerata	Jin Niu Cao	金牛草
TCMH409	Salvia miltiorrhiza	Dan Shen Jin Gao	丹参浸膏
TCMH827	Terminalia chebula	He Zi Rou	诃子肉
TCMH2241	Panax quinquefolium	Xi Yang Shen	西洋参
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH526	Eucommia ulmoides	Du Zhong Ye	杜仲叶
TCMH1299	Ganoderma lucidum	Ling Zhi(1)	灵芝
TCMH1432	Vitex trifolia	Man Jing Zi	蔓荆子
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH905	Picrorhiza kurrooa	Hu Huang Lian	胡黄连
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH193	Psoralea corylifolia	Bu Gu Zhi	补骨脂
TCMH2322	Prunus armeniaca	Xing Ren	杏仁
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH240	Plantago depressa	Che Qian Cao	车前草
TCMH128	Castanea mollissima	Ban Li Ke	板栗壳
TCMH829	Semen pharbitidis	Hei Chou	黑丑
TCMH685	Syzygium aromaticum	Gong Ding Xiang	公丁香
TCMH1601	Nelumbo nucifera	Ou Pian	藕片
TCMH74	Patrinia villosa	Bai Jiang	败酱
TCMH1518	Chaenomeles sinensis	Mu Gua	木瓜
TCMH1966	Rehmannia glutinosa	Shu Di Huang	熟地黄
TCMH331	Eleutherococcus senticosus	Ci Wu Jia Qing Gao	刺五加清膏
TCMH30	Croton tiglium	Ba Dou Ye	巴豆叶
TCMH1665	Notopterygium incisum	Qiang Huo	羌活
TCMH2237	Siegesbeckia orientalis	Xi Xian	豨莶
TCMH1033	Centella asiatica	Ji Xue Cao	积雪草
TCMH2545	Houttuynia cordata	Yu Xing Cao	鱼腥草
TCMH2086	Trichosanthes kirilowii	Tian Hua Fen	天花粉
TCMH2056	Cynomorium songaricum	Suo Yang	锁阳
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH1539	Cucurbita moschata	Nan Gua	南瓜
TCMH1660	Senecio scandens	Qian Li Guang	千里光
TCMH1503	Eclipta prostrata	Mo Han Lian	墨旱莲
TCMH500	Benincasa hispida	Dong Gua Zi	冬瓜子
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH2624	Anemarrhena asphodeloides	Zhi Mu	知母
TCMH205	Xanthium sibiricum	Cang Er Cao	苍耳草
TCMH1448	Mangifera indica	Mang Guo Ye	芒果叶
TCMH2117	Lepidium apetalum	Ting Li Zi	葶苈子
TCMH494	Cordyceps sinensis	Dong Chong Xia Cao	冬虫夏草
TCMH1176	Allium tuberosum	Jiu Zi	韭子
TCMH710	Trichosanthes kirilowii maxim	Gua Lou Zi	瓜蒌子
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH348	Lobelia chinensis	Da Ban Bian Lian	大半边莲
TCMH1272	Forsythia suspensa	Lian Qiao	连翘
TCMH901	Saxifraga stolonifera	Hu Er Cao	虎耳草
TCMH114	Platycladus orientalis	Bai Ye	柏叶
TCMH906	Viscum coloratum	Hu Ji Sheng	槲寄生
TCMH1635	Typha angustata	Pu Huang Jin Gao	蒲黄浸膏
TCMH1741	Myristica fragrans	Rou Dou Kou	肉豆蔻
TCMH1804	Amomum villosum	Sha Ren Ye	砂仁叶
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH1142	Schizonepetae spica	Jing Jie Sui	荆芥穗
TCMH1777	Panax notoginseng	San Qi Ye Jing	三七叶茎
TCMH2509	Epimedium brevicornum	Yin Yang Huo Jin Gao	淫羊藿浸膏
TCMH1155	Allium tuberosum	Jiu Cai	韭菜
TCMH149	Lepidium apetalum	Bei Ting Li Zi	北葶苈子
TCMH2116	Lepidium apetalum	Ting Li Cao	葶苈草
TCMH1846	Artemisia capillaris	Shan Yin Chen	山茵陈
TCMH2154	Artemisia capillaris	Tu Yin Chen Hao	土茵陈蒿
TCMH2494	Artemisia capillaris	Yin Chen Hao	茵陈蒿
TCMH1803	Amomum villosum	Sha Ren	砂仁
TCMH1175	Cornus officinalis	Jiu Yu Rou	酒萸肉
TCMH122	Lobelia chinensis	Ban Bian Lian	半边莲
TCMH524	Eucommia ulmoides	Du Zhong	杜仲
TCMH525	Eucommia ulmoides	Du Zhong Tan	杜仲炭
TCMH498	Benincasa hispida	Dong Gua Pi	冬瓜皮
TCMH52	Semen pharbitidis	Bai Chou	白丑
TCMH204	Xanthium sibiricum	Cang Er	苍耳
TCMH1185	Lycium chinense	Gou Qi	枸杞
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH310	Melia azedarach	Chuan Lian	川楝
TCMH1211	Melia azedarach	Ku Lian Pi	苦楝皮
TCMH1943	Punica granatum	Shi Liu	石榴
TCMH1944	Punica granatum	Shi Liu Pi	石榴皮
TCMH1945	Punica granatum	Shi Liu Zi	石榴子
TCMH1431	Vitex trifolia	Man Jing Ye	蔓荆叶
TCMH705	Trichosanthes kirilowii	Gua Lou	瓜蒌
TCMH706	Trichosanthes kirilowii	Gua Lou Pi	瓜蒌皮
TCMH707	Trichosanthes kirilowii	Gua Lou Ren	瓜蒌仁
TCMH708	Trichosanthes kirilowii	Gua Lou Ren Shuang	瓜蒌仁霜
TCMH709	Trichosanthes kirilowii	Gua Lou Shi	栝蒌实
TCMH711	Trichosanthes kirilowii	Gua Lou Gen	栝楼根
TCMH712	Trichosanthes kirilowii	Gua Lou Ren(1)	栝楼仁
TCMH1770	Panax notoginseng	San Qi Gan Jin Gao	三七干浸膏
TCMH1771	Panax notoginseng	San Qi Gao Fen	三七膏粉
TCMH1772	Panax notoginseng	San Qi Hua	三七花
TCMH1774	Panax notoginseng	San Qi Jing Ye	三七茎叶
TCMH1776	Panax notoginseng	San Qi Ye	三七叶
TCMH309	Curcuma longa	Chuan Yu Jin	川郁金
TCMH1296	Ganoderma lucidum	Ling Zhi Jin Gao	灵芝浸膏
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH210	Terminalia chebula	Cang Qing Guo	藏青果
TCMH826	Terminalia chebula	He Zi	诃子
TCMH978	Taraxacum mongolicum	Huang Miao	黄苗
TCMH1632	Taraxacum mongolicum	Pu Gong Ying	蒲公英
TCMH2554	Polygala tenuifolia	Yuan Zhi	远志
TCMH2555	Polygala tenuifolia	Yuan Zhi Jin Gao	远志浸膏
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
TCMH228	Bupleurum chinense	Chai Hu	柴胡
TCMH229	Bupleurum chinense	Chai Hu Jin Gao	柴胡浸膏
TCMH230	Bupleurum chinense	Chai Hu Shao	柴胡梢
TCMH519	Pogostemon cablin	Du Huo Xiang	杜藿香
TCMH728	Pogostemon cablin	Guang Huo Xiang	广藿香
TCMH1008	Pogostemon cablin	Huo Xiang	藿香
TCMH1009	Pogostemon cablin	Huo Xiang Ye	藿香叶
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH61	Ginkgo biloba	Bai Guo Ren	白果仁
TCMH2082	Acanthopanax gracilistylus	Teng Wu Jia Gen	藤五加根
TCMH2139	Acanthopanax gracilistylus	Tu Jia Pi	土加皮
TCMH2152	Acanthopanax gracilistylus	Tu Wu Jia	土五加
TCMH28	Croton tiglium	Ba Dou	巴豆
TCMH29	Croton tiglium	Ba Dou Shuang	巴豆霜
TCMH292	Notopterygium incisum	Chuan Qiang Huo	川羌活
TCMH2507	Epimedium brevicornum	Yin Yang Huo	淫羊藿
TCMH2508	Epimedium brevicornum	Yin Yang Huo Gan Gao Fen	淫羊藿干膏粉
TCMH327	Eleutherococcus senticosus	Ci Wu Jia	刺五加
TCMH328	Eleutherococcus senticosus	Ci Wu Jia Gao	刺五加膏
TCMH329	Eleutherococcus senticosus	Ci Wu Jia Jin Gao	刺五加浸膏
TCMH330	Eleutherococcus senticosus	Ci Wu Jia Jin Yu	刺五加浸育
TCMH814	Nelumbo nucifera	He Geng	荷梗
TCMH825	Nelumbo nucifera	He Ye	荷叶
TCMH1275	Nelumbo nucifera	Lian Zi	莲子
TCMH1276	Nelumbo nucifera	Lian Zi Xin	莲子心
TCMH1598	Nelumbo nucifera	Ou	藕
TCMH1599	Nelumbo nucifera	Ou Fen	藕粉
TCMH486	Syzygium aromaticum	Ding Xiang	丁香
TCMH1634	Typha angustata	Pu Huang	蒲黄
TCMH407	Salvia miltiorrhiza	Dan Shen	丹参
TCMH408	Salvia miltiorrhiza	Dan Shen Gan Jin Gao	丹参干浸膏
TCMH1005	Cannabis sativa	Huo Ma Ren	火麻仁
TCMH195	Raphanus sativus	Cai Fu Zi	菜菔子
TCMH1239	Raphanus sativus	Lai Fu	莱菔
TCMH8	Rehmannia glutinosa	Ai Di Huang	矮地黄
TCMH451	Rehmannia glutinosa	Di Huang	地黄
TCMH453	Rehmannia glutinosa	Di Huang Tan	地黄炭
TCMH643	Rehmannia glutinosa	Gan Di Huang	干地黄
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参

Ingredient ID: TCMC1899
Formula: C20H22O6

Common Name	Pinoresinol
IUPAC Name	4-[(3R,3aR,6S,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
Canonical SMILES	COc1cc(ccc1O)[C@@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc(c(c1)OC)O
Standard InCHI	InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19-,20+/m0/s1
Standard InCHIKey	HGXBRUKMWQGOIE-WZBLMQSHSA-N
External Identifiers	ChEMBL [CHEMBL487611]; PubChem [637584];
Reference of Component-Ingredient Pair	23444043

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2367	Linum usitatissimum	Ya Ma Zi	亚麻子
TCMH914	Sesamum indicum	Hu Ma Ren	胡麻仁
TCMH2580	Coptis chinensis	Ze Xi Huang Lian	择细黄连
TCMH537	Centipeda minima	E Bu Shi Cao Nong Suo Ye	鹅不食草浓缩液
TCMH2381	Daphne genkwa	Yuan Hua Zhi Tiao	芫花枝条
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH1322	Solanum nigrum	Long Kui	龙葵
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH2239	Asarum sieboldii	Xi Xin	细辛
TCMH1245	Stellera chamaejasme	Lang Du	狼毒
TCMH1272	Forsythia suspensa	Lian Qiao	连翘
TCMH1086	Sambucus williamsii	Jie Gu Mu	接骨木
TCMH1943	Punica granatum	Shi Liu	石榴
TCMH1944	Punica granatum	Shi Liu Pi	石榴皮
TCMH1945	Punica granatum	Shi Liu Zi	石榴子
TCMH848	Sesamum indicum	Hei Zhi Ma	黑芝麻
TCMH913	Sesamum indicum	Hu Ma	胡麻
TCMH283	Coptis chinensis	Chuan Huang Lian	川黄连
TCMH972	Coptis chinensis	Huang Lian	黄连
TCMH973	Coptis chinensis	Huang Lian Gan Jin Gao	黄连干浸膏
TCMH975	Coptis chinensis	Huang Lian Xu	黄连须
TCMH1064	Coptis chinensis	Jiang Huang Lian	姜黄连
TCMH1161	Coptis chinensis	Jiu Huang Lian	酒黄连
TCMH2330	Coptis chinensis	Xiong Huang Lian	雄黄连
TCMH2531	Coptis chinensis	Yu Huang Lian	萸黄连
TCMH536	Centipeda minima	E Bu Shi Cao	鹅不食草
TCMH344	Daphne genkwa	Cu Yuan Hua	醋芫花
TCMH2378	Daphne genkwa	Yuan Hua	芫花
TCMH2379	Daphne genkwa	Yuan Hua Gen	芫花根
TCMH2380	Daphne genkwa	Yuan Hua Tiao	芫花条

Ingredient ID: TCMC1830
Formula: C16H32O2

Common Name	Palmitic Acid
IUPAC Name	hexadecanoic acid
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)O
Standard InCHI	InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
Standard InCHIKey	IPCSVZSSVZVIGE-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL82293]; PubChem [985];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH86	Ampelopsis japonica	Bai Lian	白蔹
TCMH1862	Cornus officinalis	Shan Zhu Yu	山茱萸
TCMH2367	Linum usitatissimum	Ya Ma Zi	亚麻子
TCMH211	Atractylodes lancea	Cang Zhu	苍术
TCMH457	Euphorbia humifusa	Di Mian Cao	地绵草
TCMH907	Piper nigrum	Hu Jiao	胡椒
TCMH1063	Curcuma longa	Jiang Huang	姜黄
TCMH2407	Bupleurum chinense	Yan Tai Chai Hu	烟台柴胡
TCMH924	Zanthoxylum bungeanum	Hua Jiao	花椒
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH2695	NA	Zhu Dan	猪胆
TCMH1939	Combretum indicum	Shi Jun Zi Ren	使君子仁
TCMH1656	Angelica decursiva	Qian Hu	前胡
TCMH1865	Paeonia obovata	Shao Yao	芍药
TCMH1987	Silybum marianum	Shui Fei Ji	水飞蓟
TCMH1240	Raphanus sativus	Lai Fu Zi	莱菔子
TCMH1264	Litchi chinensis	Li Zhi He	荔枝核
TCMH2506	Ginkgo biloba	Yin Xing Ye	银杏叶
TCMH1753	Boswellia carterii	Ru Xiang	乳香
TCMH2166	Clematis chinensis	Wei Ling Xian	威灵仙
TCMH2495	Artemisia capillaris	Yin Chen Hao Gan Jin Gao	茵陈蒿干浸膏
TCMH2012	Lycopus lucidus	Shui Ze Lan	水泽兰
TCMH2438	Caro caprae seu ovis	Yang Rou	羊肉
TCMH143	Albizia julibrissin	Bei He Huan	北合欢
TCMH2201	Securidaca inappendiculata	Wu Wei Teng	五味藤
TCMH2656	Bilis porci	Zhu Dan Zhi	猪胆汁
TCMH537	Centipeda minima	E Bu Shi Cao Nong Suo Ye	鹅不食草浓缩液
TCMH241	Plantago asiatica	Che Qian Zi	车前子
TCMH2144	Inula helenium	Tu Mu Xiang	土木香
TCMH2146	Gynura segetum	Tu San Qi	土三七
TCMH2134	Smilax glabra	Tu Fu Ling	土茯苓
TCMH1633	Taraxacum mongolicum	Pu Gong Ying Jin Gao	蒲公英浸膏
TCMH865	Carthamus tinctorius	Hong Hua	红花
TCMH1186	Lycium chinense	Gou Qi Zi	枸杞子
TCMH120	Atractylodes macrocephala	Bai Zhu	白术
TCMH307	Cnidium officinale	Chuan Xiong Jin Gao	川芎浸膏
TCMH1877	Musculus bungari	She Rou	蛇肉
TCMH1460	Zanthoxylum nitidum	Mao Liang Mian Zhen	毛两面针
TCMH2642	Gardenia jasminoides	Zhi Zi Jin Gao	栀子浸膏
TCMH2137	Pogostemon cablin	Tu Huo Xiang	土藿香
TCMH2666	Pig's spinal cord	Zhu Ji Sui	猪脊髓
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH1498	Ranunculus ternatus	Mao Zhao Cao	猫爪草
TCMH2027	Oleum terebinthinae	Song Jie You	松节油
TCMH2456	Eupatorium lindleyanum	Ye Ma Zhui	野马追
TCMH2265	Cyperus rotundus	Xiang Fu	香附
TCMH1923	Acorus tatarinowii	Shi Chang Pu Qing Gao	石菖蒲清膏
TCMH326	Corium erinacei seu hemiechianus	Ci Wei Pi	刺猬皮
TCMH1212	Melia azedarach	Ku Lian Zi	苦楝子
TCMH2653	Crassum intestinum porci	Zhu Da Chang	猪大肠
TCMH2556	Polygala tenuifolia	Yuan Zhi Liu Jin Gao	远志流浸膏
TCMH741	Fructus choerospondiatis	Guang Zao	广枣
TCMH2706	Lithospermum erythrorhizon	Zi Cao	紫草
TCMH1409	Cannabis sativa	Ma Ren	麻仁
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1105	Trollius chinensis	Jin Lian Hua	金莲花
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH1111	Polygala glomerata	Jin Niu Cao	金牛草
TCMH1469	Flos mume	Mei Hua	梅花
TCMH1894	Pinellia ternata	Sheng Ban Xia	生半夏
TCMH2442	Radix rumicis japonici	Yang Ti Gen	羊蹄根
TCMH1793	Ootheca mantidis	Sang Piao Xiao	桑螵蛸
TCMH827	Terminalia chebula	He Zi Rou	诃子肉
TCMH290	Radix cudraniae	Chuan Po Shi	穿破石
TCMH1377	Astilbe chinensis	Luo Xin Fu	落新妇
TCMH1872	Cnidium monnieri	She Ma Zi	蛇麻子
TCMH2241	Panax quinquefolium	Xi Yang Shen	西洋参
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH526	Eucommia ulmoides	Du Zhong Ye	杜仲叶
TCMH1299	Ganoderma lucidum	Ling Zhi(1)	灵芝
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1432	Vitex trifolia	Man Jing Zi	蔓荆子
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH958	Testis et penis canis familiaris	Huang Gou Shen	黄狗肾
TCMH2090	Gastrodia elata	Tian Ma	天麻
TCMH95	Aquilaria sinensis	Bai Mu Xiang	白木香
TCMH1999	Bubalus bubalis	Shui Niu Jiao Nong Suo Fen	水牛角浓缩粉
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH2728	Aster tataricus	Zi Wan	紫菀
TCMH2322	Prunus armeniaca	Xing Ren	杏仁
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH240	Plantago depressa	Che Qian Cao	车前草
TCMH128	Castanea mollissima	Ban Li Ke	板栗壳
TCMH2659	Poria cocos	Zhu Fu Shen	朱茯神
TCMH829	Semen pharbitidis	Hei Chou	黑丑
TCMH1601	Nelumbo nucifera	Ou Pian	藕片
TCMH74	Patrinia villosa	Bai Jiang	败酱
TCMH1615	Eriobotrya japonica	Pi Ba Ren	枇杷仁
TCMH37	Smilax china	Ba Qia	菝葜
TCMH555	Potentilla discolor	Fan Bai Cao	翻白草
TCMH2551	Polygonatum odoratum	Yu Zhu	玉竹
TCMH287	Clematidis armandii caulis	Chuan Mu Tong	川木通
TCMH1966	Rehmannia glutinosa	Shu Di Huang	熟地黄
TCMH2192	Prunus mume	Wu Mei Rou	乌梅肉
TCMH619	Citrus medica var. sarcodactylis	Fo Shou	佛手
TCMH30	Croton tiglium	Ba Dou Ye	巴豆叶
TCMH302	Andrographis paniculata	Chuan Xin Lian Nong Suo Ye	穿心莲浓缩液
TCMH1798	Morus alba	Sang Zhi	桑枝
TCMH670	Ligusticum sinense	Gao Ben	藁本
TCMH1033	Centella asiatica	Ji Xue Cao	积雪草
TCMH1486	Ephedra sinica	Mi Ma Huang	蜜麻黄
TCMH2545	Houttuynia cordata	Yu Xing Cao	鱼腥草
TCMH1117	Rhizoma fagopyri cymosi	Jin Qiao Mai	金荞麦
TCMH2086	Trichosanthes kirilowii	Tian Hua Fen	天花粉
TCMH2056	Cynomorium songaricum	Suo Yang	锁阳
TCMH1396	Portulaca oleracea	Ma Chi Xian	马齿苋
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH2573	Ziziphus jujuba var. spinosa	Zao Ren	枣仁
TCMH2452	Chrysanthemum indicum	Ye Ju Hua	野菊花
TCMH1660	Senecio scandens	Qian Li Guang	千里光
TCMH2066	Santalum album	Tan Xiang	檀香
TCMH1503	Eclipta prostrata	Mo Han Lian	墨旱莲
TCMH1000	Foeniculum vulgare	Hui Xiang	茴香
TCMH500	Benincasa hispida	Dong Gua Zi	冬瓜子
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH1118	Lygodium japonicum	Jin Sha Teng	金沙藤
TCMH2624	Anemarrhena asphodeloides	Zhi Mu	知母
TCMH205	Xanthium sibiricum	Cang Er Cao	苍耳草
TCMH1448	Mangifera indica	Mang Guo Ye	芒果叶
TCMH2117	Lepidium apetalum	Ting Li Zi	葶苈子
TCMH494	Cordyceps sinensis	Dong Chong Xia Cao	冬虫夏草
TCMH57	Wolfiporia cocos	Bai Fu Ling	白茯苓
TCMH1176	Allium tuberosum	Jiu Zi	韭子
TCMH1588	Achyranthes bidentata	Niu Xi	牛膝
TCMH710	Trichosanthes kirilowii maxim	Gua Lou Zi	瓜蒌子
TCMH76	Thlaspi arvense	Bai Jiang Cao	败酱草
TCMH1531	Akebia quinata	Mu Tong	木通
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH348	Lobelia chinensis	Da Ban Bian Lian	大半边莲
TCMH652	Caro verci	Gan Lu Rou	干鹿肉
TCMH71	Oldenlandia diffusa	Bai Hua She She Cao	白花蛇舌草
TCMH1272	Forsythia suspensa	Lian Qiao	连翘
TCMH132	Scutellaria barbata	Ban Zhi Lian	半枝莲
TCMH901	Saxifraga stolonifera	Hu Er Cao	虎耳草
TCMH114	Platycladus orientalis	Bai Ye	柏叶
TCMH1457	Fructus terminaliae billericae	Mao He Zi	毛诃子
TCMH906	Viscum coloratum	Hu Ji Sheng	槲寄生
TCMH1741	Myristica fragrans	Rou Dou Kou	肉豆蔻
TCMH2267	Periploca sepium	Xiang Jia Pi	香加皮
TCMH1029	Paederia scandens	Ji Shi Teng	鸡矢藤
TCMH1804	Amomum villosum	Sha Ren Ye	砂仁叶
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH2315	Arnebia euchroma	Xin Jiang Zi Cao	新疆紫草
TCMH35	Dysosma versipellis	Ba Jiao Lian	八角莲
TCMH1142	Schizonepetae spica	Jing Jie Sui	荆芥穗
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH1022	Celosia cristata	Ji Guan Hua	鸡冠花
TCMH1777	Panax notoginseng	San Qi Ye Jing	三七叶茎
TCMH1512	Isatis indigotica	Mu Da Qing Ye	木大青叶
TCMH1155	Allium tuberosum	Jiu Cai	韭菜
TCMH149	Lepidium apetalum	Bei Ting Li Zi	北葶苈子
TCMH2116	Lepidium apetalum	Ting Li Cao	葶苈草
TCMH1846	Artemisia capillaris	Shan Yin Chen	山茵陈
TCMH2154	Artemisia capillaris	Tu Yin Chen Hao	土茵陈蒿
TCMH2494	Artemisia capillaris	Yin Chen Hao	茵陈蒿
TCMH1803	Amomum villosum	Sha Ren	砂仁
TCMH1175	Cornus officinalis	Jiu Yu Rou	酒萸肉
TCMH1150	Gynura segetum	Jing Tian San Qi	景天三七
TCMH122	Lobelia chinensis	Ban Bian Lian	半边莲
TCMH1584	Achyranthes bidentata	Niu Teng	牛藤
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH1866	Cnidium monnieri	She Chuang Zi	蛇床子
TCMH524	Eucommia ulmoides	Du Zhong	杜仲
TCMH525	Eucommia ulmoides	Du Zhong Tan	杜仲炭
TCMH498	Benincasa hispida	Dong Gua Pi	冬瓜皮
TCMH1575	Bubalus bubalis	Niu Jiao Fen	牛角粉
TCMH1576	Bubalus bubalis	Niu Jiao Jian Fen	牛角尖粉
TCMH1577	Bubalus bubalis	Niu Jiao Tan	牛角炭
TCMH1997	Bubalus bubalis	Shui Niu Jiao	水牛角
TCMH1998	Bubalus bubalis	Shui Niu Jiao Gan Jin Gao	水牛角干浸膏
TCMH52	Semen pharbitidis	Bai Chou	白丑
TCMH204	Xanthium sibiricum	Cang Er	苍耳
TCMH1185	Lycium chinense	Gou Qi	枸杞
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH1398	Ephedra sinica	Ma Huang	麻黄
TCMH1399	Ephedra sinica	Ma Huang Gao	麻黄膏
TCMH1400	Ephedra sinica	Ma Huang Gen	麻黄根
TCMH1401	Ephedra sinica	Ma Huang Jin Gao	麻黄浸膏
TCMH310	Melia azedarach	Chuan Lian	川楝
TCMH1211	Melia azedarach	Ku Lian Pi	苦楝皮
TCMH130	Pinellia ternata	Ban Xia	半夏
TCMH131	Pinellia ternata	Ban Xia Qu	半夏曲
TCMH1677	Pinellia ternata	Qing Ban Xia	清半夏
TCMH780	Lygodium japonicum	Hai Jin Sha	海金砂
TCMH781	Lygodium japonicum	Hai Jin Sha Cao	海金沙草
TCMH782	Lygodium japonicum	Hai Jin Sha Teng	海金沙藤
TCMH783	Lygodium japonicum	Hai Jin Sha Teng Gan Jin Gao	海金沙藤干浸膏
TCMH1943	Punica granatum	Shi Liu	石榴
TCMH1944	Punica granatum	Shi Liu Pi	石榴皮
TCMH1945	Punica granatum	Shi Liu Zi	石榴子
TCMH1431	Vitex trifolia	Man Jing Ye	蔓荆叶
TCMH258	Paeonia obovata	Chi Shao	赤芍
TCMH705	Trichosanthes kirilowii	Gua Lou	瓜蒌
TCMH706	Trichosanthes kirilowii	Gua Lou Pi	瓜蒌皮
TCMH707	Trichosanthes kirilowii	Gua Lou Ren	瓜蒌仁
TCMH708	Trichosanthes kirilowii	Gua Lou Ren Shuang	瓜蒌仁霜
TCMH709	Trichosanthes kirilowii	Gua Lou Shi	栝蒌实
TCMH711	Trichosanthes kirilowii	Gua Lou Gen	栝楼根
TCMH712	Trichosanthes kirilowii	Gua Lou Ren(1)	栝楼仁
TCMH1770	Panax notoginseng	San Qi Gan Jin Gao	三七干浸膏
TCMH1771	Panax notoginseng	San Qi Gao Fen	三七膏粉
TCMH1772	Panax notoginseng	San Qi Hua	三七花
TCMH1774	Panax notoginseng	San Qi Jing Ye	三七茎叶
TCMH1776	Panax notoginseng	San Qi Ye	三七叶
TCMH309	Curcuma longa	Chuan Yu Jin	川郁金
TCMH1296	Ganoderma lucidum	Ling Zhi Jin Gao	灵芝浸膏
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH210	Terminalia chebula	Cang Qing Guo	藏青果
TCMH826	Terminalia chebula	He Zi	诃子
TCMH978	Taraxacum mongolicum	Huang Miao	黄苗
TCMH1632	Taraxacum mongolicum	Pu Gong Ying	蒲公英
TCMH2554	Polygala tenuifolia	Yuan Zhi	远志
TCMH2555	Polygala tenuifolia	Yuan Zhi Jin Gao	远志浸膏
TCMH1792	Morus alba	Sang Pi	桑皮
TCMH1797	Morus alba	Sang Ye	桑叶
TCMH93	Prunus mume	Bai Mei Hua	白梅花
TCMH2191	Prunus mume	Wu Mei	乌梅
TCMH557	Aster tataricus	Fan Hun Cao	返魂草
TCMH939	Aster tataricus	Huai Hun Cao	还魂草
TCMH1490	Aster tataricus	Mi Zi Wan	蜜紫菀
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
TCMH228	Bupleurum chinense	Chai Hu	柴胡
TCMH229	Bupleurum chinense	Chai Hu Jin Gao	柴胡浸膏
TCMH230	Bupleurum chinense	Chai Hu Shao	柴胡梢
TCMH519	Pogostemon cablin	Du Huo Xiang	杜藿香
TCMH728	Pogostemon cablin	Guang Huo Xiang	广藿香
TCMH1008	Pogostemon cablin	Huo Xiang	藿香
TCMH1009	Pogostemon cablin	Huo Xiang Ye	藿香叶
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH61	Ginkgo biloba	Bai Guo Ren	白果仁
TCMH28	Croton tiglium	Ba Dou	巴豆
TCMH29	Croton tiglium	Ba Dou Shuang	巴豆霜
TCMH256	Wolfiporia cocos	Chi Fu Ling	赤茯苓
TCMH606	Wolfiporia cocos	Fu Ling	茯苓
TCMH126	Isatis indigotica	Ban Lan	板蓝
TCMH127	Isatis indigotica	Ban Lan Gen	板蓝根
TCMH381	Isatis indigotica	Da Qing Ye	大青叶
TCMH1510	Isatis indigotica	Mu Ban Lan Gen	木板蓝根
TCMH305	Cnidium officinale	Chuan Xiong	川芎
TCMH814	Nelumbo nucifera	He Geng	荷梗
TCMH825	Nelumbo nucifera	He Ye	荷叶
TCMH1275	Nelumbo nucifera	Lian Zi	莲子
TCMH1276	Nelumbo nucifera	Lian Zi Xin	莲子心
TCMH1598	Nelumbo nucifera	Ou	藕
TCMH1599	Nelumbo nucifera	Ou Fen	藕粉
TCMH298	Andrographis paniculata	Chuan Xin Lian	穿心莲
TCMH299	Andrographis paniculata	Chuan Xin Lian Gan Jin Gao	穿心莲干浸膏
TCMH300	Andrographis paniculata	Chuan Xin Lian Jin Gao	穿心莲浸膏
TCMH454	Euphorbia humifusa	Di Jin Cao	地锦草
TCMH2051	Ziziphus jujuba var. spinosa	Suan Zao	酸枣
TCMH2052	Ziziphus jujuba var. spinosa	Suan Zao Ren	酸枣仁
TCMH2164	Clematis chinensis	Wei Ling	威灵
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏
TCMH1005	Cannabis sativa	Huo Ma Ren	火麻仁
TCMH195	Raphanus sativus	Cai Fu Zi	菜菔子
TCMH1239	Raphanus sativus	Lai Fu	莱菔
TCMH8	Rehmannia glutinosa	Ai Di Huang	矮地黄
TCMH451	Rehmannia glutinosa	Di Huang	地黄
TCMH453	Rehmannia glutinosa	Di Huang Tan	地黄炭
TCMH643	Rehmannia glutinosa	Gan Di Huang	干地黄
TCMH1920	Acorus tatarinowii	Shi Chang Pu	石菖蒲
TCMH1922	Acorus tatarinowii	Shi Chang Pu Jin Gao	石菖蒲浸膏
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参
TCMH536	Centipeda minima	E Bu Shi Cao	鹅不食草
TCMH1856	Gardenia jasminoides	Shan Zhi	山栀
TCMH2641	Gardenia jasminoides	Zhi Zi	栀子

Ingredient ID: TCMC1788
Formula: C18H34O2

Common Name	Oleic Acid
IUPAC Name	(Z)-octadec-9-enoic acid
Canonical SMILES	CCCCCCCC/C=CCCCCCCCC(=O)O
Standard InCHI	InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
Standard InCHIKey	ZQPPMHVWECSIRJ-KTKRTIGZSA-N
External Identifiers	ChEMBL [CHEMBL8659]; PubChem [445639];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2367	Linum usitatissimum	Ya Ma Zi	亚麻子
TCMH914	Sesamum indicum	Hu Ma Ren	胡麻仁
TCMH211	Atractylodes lancea	Cang Zhu	苍术
TCMH907	Piper nigrum	Hu Jiao	胡椒
TCMH1063	Curcuma longa	Jiang Huang	姜黄
TCMH2407	Bupleurum chinense	Yan Tai Chai Hu	烟台柴胡
TCMH924	Zanthoxylum bungeanum	Hua Jiao	花椒
TCMH1939	Combretum indicum	Shi Jun Zi Ren	使君子仁
TCMH265	Laggera pterodonta	Chu Ling Dan Cao	臭灵丹草
TCMH1987	Silybum marianum	Shui Fei Ji	水飞蓟
TCMH1240	Raphanus sativus	Lai Fu Zi	莱菔子
TCMH1264	Litchi chinensis	Li Zhi He	荔枝核
TCMH2506	Ginkgo biloba	Yin Xing Ye	银杏叶
TCMH2201	Securidaca inappendiculata	Wu Wei Teng	五味藤
TCMH2144	Inula helenium	Tu Mu Xiang	土木香
TCMH2134	Smilax glabra	Tu Fu Ling	土茯苓
TCMH865	Carthamus tinctorius	Hong Hua	红花
TCMH120	Atractylodes macrocephala	Bai Zhu	白术
TCMH2150	Cuscuta australis	Tu Si Zi Teng	菟丝子藤
TCMH307	Cnidium officinale	Chuan Xiong Jin Gao	川芎浸膏
TCMH1460	Zanthoxylum nitidum	Mao Liang Mian Zhen	毛两面针
TCMH2491	Alpinia oxyphylla	Yi Zhi Ren	益智仁
TCMH2137	Pogostemon cablin	Tu Huo Xiang	土藿香
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH1498	Ranunculus ternatus	Mao Zhao Cao	猫爪草
TCMH1212	Melia azedarach	Ku Lian Zi	苦楝子
TCMH2556	Polygala tenuifolia	Yuan Zhi Liu Jin Gao	远志流浸膏
TCMH741	Fructus choerospondiatis	Guang Zao	广枣
TCMH2706	Lithospermum erythrorhizon	Zi Cao	紫草
TCMH1409	Cannabis sativa	Ma Ren	麻仁
TCMH2077	Prunus persica	Tao Zhi	桃枝
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1105	Trollius chinensis	Jin Lian Hua	金莲花
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH1111	Polygala glomerata	Jin Niu Cao	金牛草
TCMH409	Salvia miltiorrhiza	Dan Shen Jin Gao	丹参浸膏
TCMH827	Terminalia chebula	He Zi Rou	诃子肉
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH1299	Ganoderma lucidum	Ling Zhi(1)	灵芝
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1432	Vitex trifolia	Man Jing Zi	蔓荆子
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH2374	Phellodendron amurense	Yan Guan Huang Bai	盐关黄柏
TCMH1597	Ligustrum lucidum	Nv Zhen Zi	女贞子
TCMH95	Aquilaria sinensis	Bai Mu Xiang	白木香
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH2728	Aster tataricus	Zi Wan	紫菀
TCMH2322	Prunus armeniaca	Xing Ren	杏仁
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH829	Semen pharbitidis	Hei Chou	黑丑
TCMH685	Syzygium aromaticum	Gong Ding Xiang	公丁香
TCMH1601	Nelumbo nucifera	Ou Pian	藕片
TCMH74	Patrinia villosa	Bai Jiang	败酱
TCMH743	Plastrum testudinis	Gui Ban	龟板
TCMH1518	Chaenomeles sinensis	Mu Gua	木瓜
TCMH1966	Rehmannia glutinosa	Shu Di Huang	熟地黄
TCMH30	Croton tiglium	Ba Dou Ye	巴豆叶
TCMH1033	Centella asiatica	Ji Xue Cao	积雪草
TCMH1823	Alpinia zerumbet	Shan Jiang	山姜
TCMH2486	Coix lacryma- jobi var. ma - yuen	Yi Yi Ren	薏苡仁
TCMH2056	Cynomorium songaricum	Suo Yang	锁阳
TCMH1396	Portulaca oleracea	Ma Chi Xian	马齿苋
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH1660	Senecio scandens	Qian Li Guang	千里光
TCMH2066	Santalum album	Tan Xiang	檀香
TCMH1503	Eclipta prostrata	Mo Han Lian	墨旱莲
TCMH1622	Scutellaria baicalensis	Pian Qin	片芩
TCMH1121	Cardiospermum halicacabum	Jin Si Ku Lian	金丝苦楝
TCMH1000	Foeniculum vulgare	Hui Xiang	茴香
TCMH500	Benincasa hispida	Dong Gua Zi	冬瓜子
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH1118	Lygodium japonicum	Jin Sha Teng	金沙藤
TCMH1448	Mangifera indica	Mang Guo Ye	芒果叶
TCMH1176	Allium tuberosum	Jiu Zi	韭子
TCMH710	Trichosanthes kirilowii maxim	Gua Lou Zi	瓜蒌子
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH114	Platycladus orientalis	Bai Ye	柏叶
TCMH906	Viscum coloratum	Hu Ji Sheng	槲寄生
TCMH1741	Myristica fragrans	Rou Dou Kou	肉豆蔻
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH2431	Datura metel	Yang Jin Hua	洋金花
TCMH2553	Scrophularia ningpoensis	Yuan Shen	元参
TCMH1777	Panax notoginseng	San Qi Ye Jing	三七叶茎
TCMH1155	Allium tuberosum	Jiu Cai	韭菜
TCMH2071	Prunus persica	Tao	桃
TCMH2073	Prunus persica	Tao Ren	桃仁
TCMH2074	Prunus persica	Tao Ren Shuang	桃仁霜
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH498	Benincasa hispida	Dong Gua Pi	冬瓜皮
TCMH52	Semen pharbitidis	Bai Chou	白丑
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH310	Melia azedarach	Chuan Lian	川楝
TCMH1211	Melia azedarach	Ku Lian Pi	苦楝皮
TCMH780	Lygodium japonicum	Hai Jin Sha	海金砂
TCMH781	Lygodium japonicum	Hai Jin Sha Cao	海金沙草
TCMH782	Lygodium japonicum	Hai Jin Sha Teng	海金沙藤
TCMH783	Lygodium japonicum	Hai Jin Sha Teng Gan Jin Gao	海金沙藤干浸膏
TCMH1943	Punica granatum	Shi Liu	石榴
TCMH1944	Punica granatum	Shi Liu Pi	石榴皮
TCMH1945	Punica granatum	Shi Liu Zi	石榴子
TCMH1431	Vitex trifolia	Man Jing Ye	蔓荆叶
TCMH1770	Panax notoginseng	San Qi Gan Jin Gao	三七干浸膏
TCMH1771	Panax notoginseng	San Qi Gao Fen	三七膏粉
TCMH1772	Panax notoginseng	San Qi Hua	三七花
TCMH1774	Panax notoginseng	San Qi Jing Ye	三七茎叶
TCMH1776	Panax notoginseng	San Qi Ye	三七叶
TCMH2488	Alpinia oxyphylla	Yi Zhi	益智
TCMH309	Curcuma longa	Chuan Yu Jin	川郁金
TCMH717	Phellodendron amurense	Guan Huang Bai	关黄柏
TCMH949	Phellodendron amurense	Huang Bai	黄柏
TCMH950	Phellodendron amurense	Huang Bai Fen	黄柏粉
TCMH951	Phellodendron amurense	Huang Bai Tan	黄柏炭
TCMH848	Sesamum indicum	Hei Zhi Ma	黑芝麻
TCMH913	Sesamum indicum	Hu Ma	胡麻
TCMH1444	Datura metel	Man Tuo Luo Ye	曼陀罗叶
TCMH1445	Datura metel	Man Tuo Luo Zi	曼陀罗子
TCMH1296	Ganoderma lucidum	Ling Zhi Jin Gao	灵芝浸膏
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH210	Terminalia chebula	Cang Qing Guo	藏青果
TCMH826	Terminalia chebula	He Zi	诃子
TCMH2554	Polygala tenuifolia	Yuan Zhi	远志
TCMH2555	Polygala tenuifolia	Yuan Zhi Jin Gao	远志浸膏
TCMH2148	Cuscuta australis	Tu Si Rou	菟丝肉
TCMH2149	Cuscuta australis	Tu Si Zi	菟丝子
TCMH557	Aster tataricus	Fan Hun Cao	返魂草
TCMH939	Aster tataricus	Huai Hun Cao	还魂草
TCMH1490	Aster tataricus	Mi Zi Wan	蜜紫菀
TCMH264	Laggera pterodonta	Chu Ling Dan	臭灵丹
TCMH986	Scutellaria baicalensis	Huang Qin	黄芩
TCMH989	Scutellaria baicalensis	Huang Qin Jin Gao	黄芩浸膏
TCMH990	Scutellaria baicalensis	Huang Qin Jin Gao Fen	黄芩浸膏粉
TCMH992	Scutellaria baicalensis	Huang Qin Tan	黄芩炭
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
TCMH228	Bupleurum chinense	Chai Hu	柴胡
TCMH229	Bupleurum chinense	Chai Hu Jin Gao	柴胡浸膏
TCMH230	Bupleurum chinense	Chai Hu Shao	柴胡梢
TCMH519	Pogostemon cablin	Du Huo Xiang	杜藿香
TCMH728	Pogostemon cablin	Guang Huo Xiang	广藿香
TCMH1008	Pogostemon cablin	Huo Xiang	藿香
TCMH1009	Pogostemon cablin	Huo Xiang Ye	藿香叶
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH61	Ginkgo biloba	Bai Guo Ren	白果仁
TCMH28	Croton tiglium	Ba Dou	巴豆
TCMH29	Croton tiglium	Ba Dou Shuang	巴豆霜
TCMH305	Cnidium officinale	Chuan Xiong	川芎
TCMH814	Nelumbo nucifera	He Geng	荷梗
TCMH825	Nelumbo nucifera	He Ye	荷叶
TCMH1275	Nelumbo nucifera	Lian Zi	莲子
TCMH1276	Nelumbo nucifera	Lian Zi Xin	莲子心
TCMH1598	Nelumbo nucifera	Ou	藕
TCMH1599	Nelumbo nucifera	Ou Fen	藕粉
TCMH486	Syzygium aromaticum	Ding Xiang	丁香
TCMH407	Salvia miltiorrhiza	Dan Shen	丹参
TCMH408	Salvia miltiorrhiza	Dan Shen Gan Jin Gao	丹参干浸膏
TCMH1005	Cannabis sativa	Huo Ma Ren	火麻仁
TCMH195	Raphanus sativus	Cai Fu Zi	菜菔子
TCMH1239	Raphanus sativus	Lai Fu	莱菔
TCMH8	Rehmannia glutinosa	Ai Di Huang	矮地黄
TCMH451	Rehmannia glutinosa	Di Huang	地黄
TCMH453	Rehmannia glutinosa	Di Huang Tan	地黄炭
TCMH643	Rehmannia glutinosa	Gan Di Huang	干地黄
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参
TCMH2343	Scrophularia ningpoensis	Xuan Shen	玄参

Ingredient ID: TCMC1646
Formula: C21H26O10

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COC(=O)[C@]12OC[C@]34[C@H]2[C@@H](O)C(=O)O[C@@H]4C[C@@H]2[C@@](C3[C@H]([C@@H]1O)O)(C)CC(=O)C(=C2C)O
Standard InCHI	InChI=1S/C21H26O10/c1-7-8-4-10-20-6-30-21(18(28)29-3,15(20)13(25)17(27)31-10)16(26)12(24)14(20)19(8,2)5-9(22)11(7)23/h8,10,12-16,23-26H,4-6H2,1-3H3/t8-,10+,12+,13+,14?,15+,16-,19+,20+,21+/m0/s1
Standard InCHIKey	YLWQKYSDNGHLAO-GJIHPGTBSA-N
External Identifiers	ChEMBL [CHEMBL1564136]; PubChem [16745524];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC1634
Formula: C14H8N2O2

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Oc1cccc2c1c1ccnc3c1n2c(=O)cc3
Standard InCHI	InChI=1S/C14H8N2O2/c17-11-3-1-2-10-13(11)8-6-7-15-9-4-5-12(18)16(10)14(8)9/h1-7,17H
Standard InCHIKey	KXFAUPPCQVBDBN-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL504142]; PubChem [N/A];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子

Ingredient ID: TCMC1599
Formula: C30H46O3

Common Name	Moronic Acid
IUPAC Name	(4aS,6aR,6aR,6bR,8aR,12aR,14aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picene-4a-carboxylic acid
Canonical SMILES	OC(=O)[C@]12CC[C@@]3([C@@H](C2=CC(CC1)(C)C)CC[C@H]1[C@@]3(C)CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C
Standard InCHI	InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-22H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,27+,28-,29-,30+/m1/s1
Standard InCHIKey	UMYJVVZWBKIXQQ-QALSDZMNSA-N
External Identifiers	ChEMBL [CHEMBL472646]; PubChem [489941];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH859	Ormosia hosiei	Hong Dou	红豆
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH2373	Rhus chinensis	Yan Fu Mu	盐肤木

Ingredient ID: TCMC1516
Formula: C15H10O6

Common Name	Luteolin
IUPAC Name	2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Canonical SMILES	Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O
Standard InCHI	InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
Standard InCHIKey	IQPNAANSBPBGFQ-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL151]; PubChem [5280445];
Reference of Component-Ingredient Pair	23122135

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH211	Atractylodes lancea	Cang Zhu	苍术
TCMH457	Euphorbia humifusa	Di Mian Cao	地绵草
TCMH265	Laggera pterodonta	Chu Ling Dan Cao	臭灵丹草
TCMH177	Polygonum aviculare	Bian Xu	萹蓄
TCMH2506	Ginkgo biloba	Yin Xing Ye	银杏叶
TCMH1144	Schizonepetae herba	Jing Jie Tan	荆芥炭
TCMH2012	Lycopus lucidus	Shui Ze Lan	水泽兰
TCMH2352	Saussurea involucrata	Xue Lian Hua	雪莲花
TCMH266	Clerodendrum bungei	Chu Mu Dan	臭牡丹
TCMH440	Erigeron breviscapus	Deng Zhan Xi Xin	灯盏细辛
TCMH143	Albizia julibrissin	Bei He Huan	北合欢
TCMH2143	Sophora flavescens	Tu Ku Shen	土苦参
TCMH1633	Taraxacum mongolicum	Pu Gong Ying Jin Gao	蒲公英浸膏
TCMH120	Atractylodes macrocephala	Bai Zhu	白术
TCMH568	Euphorbia hirta	Fei Yang Cao	飞杨草
TCMH733	Desmodium styracifolium	Guang Jin Qian Cao	广金钱草
TCMH765	Entada phaseoloides	Guo Gang Long Jin Gao	过岗龙浸膏
TCMH2306	Buxus microphylla	Xiao Ye Huang Yang	小叶黄杨
TCMH274	Fritillaria cirrhosa	Chuan Bei Mu Liu Jin Gao	川贝母流浸膏
TCMH1562	Arctium lappa	Niu Bang Zi	牛蒡子
TCMH2244	Prunella vulgaris	Xia Ku Cao	夏枯草
TCMH2137	Pogostemon cablin	Tu Huo Xiang	土藿香
TCMH1487	Buddleja officinalis	Mi Meng Hua	密蒙花
TCMH2381	Daphne genkwa	Yuan Hua Zhi Tiao	芫花枝条
TCMH1141	Schizonepeta tenuifolia	Jing Jie	荆芥
TCMH2456	Eupatorium lindleyanum	Ye Ma Zhui	野马追
TCMH1212	Melia azedarach	Ku Lian Zi	苦楝子
TCMH1435	Psychotria serpens	Man Jiu Jie	蔓九节
TCMH1409	Cannabis sativa	Ma Ren	麻仁
TCMH1105	Trollius chinensis	Jin Lian Hua	金莲花
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH1096	Inula japonica	Jin Fei Cao	金沸草
TCMH409	Salvia miltiorrhiza	Dan Shen Jin Gao	丹参浸膏
TCMH827	Terminalia chebula	He Zi Rou	诃子肉
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH807	Scutellaria indica	Han Xin Cao	韩信草
TCMH2353	Lespedeza bicolor	Xue Ren Shen	血人参
TCMH423	Embelia parviflora	Dang Gui Teng	当归藤
TCMH1322	Solanum nigrum	Long Kui	龙葵
TCMH1432	Vitex trifolia	Man Jing Zi	蔓荆子
TCMH1519	Oroxylum indicum	Mu Hu Die	木蝴蝶
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH1930	Umbilicaria esculenta	Shi Er	石耳
TCMH1393	Verbena officinalis	Ma Bian Cao	马鞭草
TCMH1601	Nelumbo nucifera	Ou Pian	藕片
TCMH74	Patrinia villosa	Bai Jiang	败酱
TCMH302	Andrographis paniculata	Chuan Xin Lian Nong Suo Ye	穿心莲浓缩液
TCMH1798	Morus alba	Sang Zhi	桑枝
TCMH1486	Ephedra sinica	Mi Ma Huang	蜜麻黄
TCMH1117	Rhizoma fagopyri cymosi	Jin Qiao Mai	金荞麦
TCMH2086	Trichosanthes kirilowii	Tian Hua Fen	天花粉
TCMH1396	Portulaca oleracea	Ma Chi Xian	马齿苋
TCMH1371	Arachis hypogaea	Luo Hua Sheng Zhi Ye	落花生枝叶
TCMH2450	Scoparia dulcis	Ye Gan Cao	野甘草
TCMH2278	Abrus precatorius	Xiang Si Zi	相思子
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH2297	Cirsium setosum	Xiao Ji	小蓟
TCMH2452	Chrysanthemum indicum	Ye Ju Hua	野菊花
TCMH1660	Senecio scandens	Qian Li Guang	千里光
TCMH2066	Santalum album	Tan Xiang	檀香
TCMH1503	Eclipta prostrata	Mo Han Lian	墨旱莲
TCMH1121	Cardiospermum halicacabum	Jin Si Ku Lian	金丝苦楝
TCMH538	Oxytropis falcata	E Da Xia	莪大夏
TCMH1181	Chrysanthemum morifolium	Ju Hua	菊花
TCMH76	Thlaspi arvense	Bai Jiang Cao	败酱草
TCMH348	Lobelia chinensis	Da Ban Bian Lian	大半边莲
TCMH936	Platycarya strobilacea	Hua Xiang Shu Guo Xu	化香树果序
TCMH132	Scutellaria barbata	Ban Zhi Lian	半枝莲
TCMH906	Viscum coloratum	Hu Ji Sheng	槲寄生
TCMH1142	Schizonepetae spica	Jing Jie Sui	荆芥穗
TCMH1437	Rhododendron dauricum	Man Shan Hong	满山红
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH2213	Ipomoea cairica	Wu Zhao Long	五爪龙
TCMH79	Sinapis alba	Bai Jie Zi	白芥子
TCMH13	Artemisia argyi	Ai Ye You	艾叶油
TCMH1022	Celosia cristata	Ji Guan Hua	鸡冠花
TCMH2211	Artemisia princeps	Wu Yue Ai	五月艾
TCMH273	Fritillaria cirrhosa	Chuan Bei Mu	川贝母
TCMH122	Lobelia chinensis	Ban Bian Lian	半边莲
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液
TCMH764	Entada phaseoloides	Guo Gang Long	过岗龙
TCMH1398	Ephedra sinica	Ma Huang	麻黄
TCMH1399	Ephedra sinica	Ma Huang Gao	麻黄膏
TCMH1400	Ephedra sinica	Ma Huang Gen	麻黄根
TCMH1401	Ephedra sinica	Ma Huang Jin Gao	麻黄浸膏
TCMH2098	Saussurea involucrata	Tian Shan Xue Lian Hua	天山雪莲花
TCMH2351	Saussurea involucrata	Xue Lian	雪莲
TCMH310	Melia azedarach	Chuan Lian	川楝
TCMH1211	Melia azedarach	Ku Lian Pi	苦楝皮
TCMH1215	Sophora flavescens	Ku Shen	苦参
TCMH2080	Sophora flavescens	Teng Ku Shen	藤苦参
TCMH315	Psychotria serpens	Chun Gen Teng	春根藤
TCMH1943	Punica granatum	Shi Liu	石榴
TCMH1944	Punica granatum	Shi Liu Pi	石榴皮
TCMH1945	Punica granatum	Shi Liu Zi	石榴子
TCMH1431	Vitex trifolia	Man Jing Ye	蔓荆叶
TCMH705	Trichosanthes kirilowii	Gua Lou	瓜蒌
TCMH706	Trichosanthes kirilowii	Gua Lou Pi	瓜蒌皮
TCMH707	Trichosanthes kirilowii	Gua Lou Ren	瓜蒌仁
TCMH708	Trichosanthes kirilowii	Gua Lou Ren Shuang	瓜蒌仁霜
TCMH709	Trichosanthes kirilowii	Gua Lou Shi	栝蒌实
TCMH711	Trichosanthes kirilowii	Gua Lou Gen	栝楼根
TCMH712	Trichosanthes kirilowii	Gua Lou Ren(1)	栝楼仁
TCMH210	Terminalia chebula	Cang Qing Guo	藏青果
TCMH826	Terminalia chebula	He Zi	诃子
TCMH978	Taraxacum mongolicum	Huang Miao	黄苗
TCMH1632	Taraxacum mongolicum	Pu Gong Ying	蒲公英
TCMH935	Platycarya strobilacea	Hua Xiang Shu Guo	化香树果
TCMH1792	Morus alba	Sang Pi	桑皮
TCMH1797	Morus alba	Sang Ye	桑叶
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH2277	Abrus precatorius	Xiang Si Teng	相思藤
TCMH264	Laggera pterodonta	Chu Ling Dan	臭灵丹
TCMH519	Pogostemon cablin	Du Huo Xiang	杜藿香
TCMH728	Pogostemon cablin	Guang Huo Xiang	广藿香
TCMH1008	Pogostemon cablin	Huo Xiang	藿香
TCMH1009	Pogostemon cablin	Huo Xiang Ye	藿香叶
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH61	Ginkgo biloba	Bai Guo Ren	白果仁
TCMH809	Chrysanthemum morifolium	Hang Ju	杭菊
TCMH814	Nelumbo nucifera	He Geng	荷梗
TCMH825	Nelumbo nucifera	He Ye	荷叶
TCMH1275	Nelumbo nucifera	Lian Zi	莲子
TCMH1276	Nelumbo nucifera	Lian Zi Xin	莲子心
TCMH1598	Nelumbo nucifera	Ou	藕
TCMH1599	Nelumbo nucifera	Ou Fen	藕粉
TCMH298	Andrographis paniculata	Chuan Xin Lian	穿心莲
TCMH299	Andrographis paniculata	Chuan Xin Lian Gan Jin Gao	穿心莲干浸膏
TCMH300	Andrographis paniculata	Chuan Xin Lian Jin Gao	穿心莲浸膏
TCMH930	Arachis hypogaea	Hua Sheng	花生
TCMH931	Arachis hypogaea	Hua Sheng Mi	花生米
TCMH454	Euphorbia humifusa	Di Jin Cao	地锦草
TCMH407	Salvia miltiorrhiza	Dan Shen	丹参
TCMH408	Salvia miltiorrhiza	Dan Shen Gan Jin Gao	丹参干浸膏
TCMH1005	Cannabis sativa	Huo Ma Ren	火麻仁
TCMH344	Daphne genkwa	Cu Yuan Hua	醋芫花
TCMH2378	Daphne genkwa	Yuan Hua	芫花
TCMH2379	Daphne genkwa	Yuan Hua Gen	芫花根
TCMH2380	Daphne genkwa	Yuan Hua Tiao	芫花条

Ingredient ID: TCMC1495
Formula: C18H32O2

Common Name	Linoleic Acid
IUPAC Name	(9Z,12Z)-octadeca-9,12-dienoic acid
Canonical SMILES	CCCCC/C=CC/C=CCCCCCCCC(=O)O
Standard InCHI	InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
Standard InCHIKey	OYHQOLUKZRVURQ-HZJYTTRNSA-N
External Identifiers	ChEMBL [CHEMBL267476]; PubChem [5280450];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1862	Cornus officinalis	Shan Zhu Yu	山茱萸
TCMH2367	Linum usitatissimum	Ya Ma Zi	亚麻子
TCMH211	Atractylodes lancea	Cang Zhu	苍术
TCMH945	Sophora japonica	Huai Zhi	槐枝
TCMH907	Piper nigrum	Hu Jiao	胡椒
TCMH1063	Curcuma longa	Jiang Huang	姜黄
TCMH2407	Bupleurum chinense	Yan Tai Chai Hu	烟台柴胡
TCMH1939	Combretum indicum	Shi Jun Zi Ren	使君子仁
TCMH1865	Paeonia obovata	Shao Yao	芍药
TCMH265	Laggera pterodonta	Chu Ling Dan Cao	臭灵丹草
TCMH1987	Silybum marianum	Shui Fei Ji	水飞蓟
TCMH1240	Raphanus sativus	Lai Fu Zi	莱菔子
TCMH1264	Litchi chinensis	Li Zhi He	荔枝核
TCMH2506	Ginkgo biloba	Yin Xing Ye	银杏叶
TCMH2166	Clematis chinensis	Wei Ling Xian	威灵仙
TCMH2495	Artemisia capillaris	Yin Chen Hao Gan Jin Gao	茵陈蒿干浸膏
TCMH143	Albizia julibrissin	Bei He Huan	北合欢
TCMH953	Aconitum vilmorinianum	Huang Cao Wu	黄草乌
TCMH2201	Securidaca inappendiculata	Wu Wei Teng	五味藤
TCMH2144	Inula helenium	Tu Mu Xiang	土木香
TCMH1633	Taraxacum mongolicum	Pu Gong Ying Jin Gao	蒲公英浸膏
TCMH865	Carthamus tinctorius	Hong Hua	红花
TCMH1186	Lycium chinense	Gou Qi Zi	枸杞子
TCMH120	Atractylodes macrocephala	Bai Zhu	白术
TCMH2150	Cuscuta australis	Tu Si Zi Teng	菟丝子藤
TCMH307	Cnidium officinale	Chuan Xiong Jin Gao	川芎浸膏
TCMH2491	Alpinia oxyphylla	Yi Zhi Ren	益智仁
TCMH2137	Pogostemon cablin	Tu Huo Xiang	土藿香
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH1498	Ranunculus ternatus	Mao Zhao Cao	猫爪草
TCMH985	Astragalus membranaceus	Huang Qi Ti Qu Ye	黄芪提取液
TCMH1923	Acorus tatarinowii	Shi Chang Pu Qing Gao	石菖蒲清膏
TCMH1212	Melia azedarach	Ku Lian Zi	苦楝子
TCMH2556	Polygala tenuifolia	Yuan Zhi Liu Jin Gao	远志流浸膏
TCMH2706	Lithospermum erythrorhizon	Zi Cao	紫草
TCMH1435	Psychotria serpens	Man Jiu Jie	蔓九节
TCMH1409	Cannabis sativa	Ma Ren	麻仁
TCMH2077	Prunus persica	Tao Zhi	桃枝
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1105	Trollius chinensis	Jin Lian Hua	金莲花
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH1111	Polygala glomerata	Jin Niu Cao	金牛草
TCMH1469	Flos mume	Mei Hua	梅花
TCMH1894	Pinellia ternata	Sheng Ban Xia	生半夏
TCMH409	Salvia miltiorrhiza	Dan Shen Jin Gao	丹参浸膏
TCMH719	Dryopteris crassirhizoma	Guan Zhong	贯众
TCMH827	Terminalia chebula	He Zi Rou	诃子肉
TCMH445	Hypericum japonicum	Di Er Cao	地耳草
TCMH2462	Crataegus pinnatifida	Ye Shan Zha	野山楂
TCMH2241	Panax quinquefolium	Xi Yang Shen	西洋参
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH526	Eucommia ulmoides	Du Zhong Ye	杜仲叶
TCMH1299	Ganoderma lucidum	Ling Zhi(1)	灵芝
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1432	Vitex trifolia	Man Jing Zi	蔓荆子
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH1597	Ligustrum lucidum	Nv Zhen Zi	女贞子
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH2728	Aster tataricus	Zi Wan	紫菀
TCMH261	Ericerus pela	Chong Bai La	虫白蜡
TCMH2322	Prunus armeniaca	Xing Ren	杏仁
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH1551	Asarum forbesii	Nan Xi Xin	南细辛
TCMH829	Semen pharbitidis	Hei Chou	黑丑
TCMH1601	Nelumbo nucifera	Ou Pian	藕片
TCMH1615	Eriobotrya japonica	Pi Ba Ren	枇杷仁
TCMH2551	Polygonatum odoratum	Yu Zhu	玉竹
TCMH1518	Chaenomeles sinensis	Mu Gua	木瓜
TCMH1966	Rehmannia glutinosa	Shu Di Huang	熟地黄
TCMH30	Croton tiglium	Ba Dou Ye	巴豆叶
TCMH1798	Morus alba	Sang Zhi	桑枝
TCMH670	Ligusticum sinense	Gao Ben	藁本
TCMH2545	Houttuynia cordata	Yu Xing Cao	鱼腥草
TCMH2086	Trichosanthes kirilowii	Tian Hua Fen	天花粉
TCMH2056	Cynomorium songaricum	Suo Yang	锁阳
TCMH1396	Portulaca oleracea	Ma Chi Xian	马齿苋
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH1503	Eclipta prostrata	Mo Han Lian	墨旱莲
TCMH1622	Scutellaria baicalensis	Pian Qin	片芩
TCMH1000	Foeniculum vulgare	Hui Xiang	茴香
TCMH500	Benincasa hispida	Dong Gua Zi	冬瓜子
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH1118	Lygodium japonicum	Jin Sha Teng	金沙藤
TCMH205	Xanthium sibiricum	Cang Er Cao	苍耳草
TCMH1448	Mangifera indica	Mang Guo Ye	芒果叶
TCMH494	Cordyceps sinensis	Dong Chong Xia Cao	冬虫夏草
TCMH1176	Allium tuberosum	Jiu Zi	韭子
TCMH1531	Akebia quinata	Mu Tong	木通
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH1272	Forsythia suspensa	Lian Qiao	连翘
TCMH906	Viscum coloratum	Hu Ji Sheng	槲寄生
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH2180	Ficus carica	Wu Hua Guo	无花果
TCMH2431	Datura metel	Yang Jin Hua	洋金花
TCMH2282	Citrus medica	Xiang Yuan Pi	香橼皮
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH2059	Radix pseudostellariae	Tai Zi Shen	太子参
TCMH1022	Celosia cristata	Ji Guan Hua	鸡冠花
TCMH1777	Panax notoginseng	San Qi Ye Jing	三七叶茎
TCMH1155	Allium tuberosum	Jiu Cai	韭菜
TCMH1846	Artemisia capillaris	Shan Yin Chen	山茵陈
TCMH2154	Artemisia capillaris	Tu Yin Chen Hao	土茵陈蒿
TCMH2494	Artemisia capillaris	Yin Chen Hao	茵陈蒿
TCMH737	Crataegus pinnatifida	Guang Shan Zha	广山楂
TCMH1848	Crataegus pinnatifida	Shan Zha	山楂
TCMH1849	Crataegus pinnatifida	Shan Zha Chou Gao	山楂稠膏
TCMH1852	Crataegus pinnatifida	Shan Zha Qing Gao	山楂清膏
TCMH1853	Crataegus pinnatifida	Shan Zha Tan	山楂炭
TCMH1175	Cornus officinalis	Jiu Yu Rou	酒萸肉
TCMH2071	Prunus persica	Tao	桃
TCMH2073	Prunus persica	Tao Ren	桃仁
TCMH2074	Prunus persica	Tao Ren Shuang	桃仁霜
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH2281	Citrus medica	Xiang Yuan	香橼
TCMH524	Eucommia ulmoides	Du Zhong	杜仲
TCMH525	Eucommia ulmoides	Du Zhong Tan	杜仲炭
TCMH498	Benincasa hispida	Dong Gua Pi	冬瓜皮
TCMH52	Semen pharbitidis	Bai Chou	白丑
TCMH204	Xanthium sibiricum	Cang Er	苍耳
TCMH1185	Lycium chinense	Gou Qi	枸杞
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH310	Melia azedarach	Chuan Lian	川楝
TCMH1211	Melia azedarach	Ku Lian Pi	苦楝皮
TCMH130	Pinellia ternata	Ban Xia	半夏
TCMH131	Pinellia ternata	Ban Xia Qu	半夏曲
TCMH1677	Pinellia ternata	Qing Ban Xia	清半夏
TCMH780	Lygodium japonicum	Hai Jin Sha	海金砂
TCMH781	Lygodium japonicum	Hai Jin Sha Cao	海金沙草
TCMH782	Lygodium japonicum	Hai Jin Sha Teng	海金沙藤
TCMH783	Lygodium japonicum	Hai Jin Sha Teng Gan Jin Gao	海金沙藤干浸膏
TCMH516	Asarum forbesii	Du Heng	杜衡
TCMH315	Psychotria serpens	Chun Gen Teng	春根藤
TCMH938	Sophora japonica	Huai Hua	槐花
TCMH940	Sophora japonica	Huai Jiao	槐角
TCMH941	Sophora japonica	Huai Mi	槐米
TCMH1943	Punica granatum	Shi Liu	石榴
TCMH1944	Punica granatum	Shi Liu Pi	石榴皮
TCMH1945	Punica granatum	Shi Liu Zi	石榴子
TCMH1431	Vitex trifolia	Man Jing Ye	蔓荆叶
TCMH258	Paeonia obovata	Chi Shao	赤芍
TCMH705	Trichosanthes kirilowii	Gua Lou	瓜蒌
TCMH706	Trichosanthes kirilowii	Gua Lou Pi	瓜蒌皮
TCMH707	Trichosanthes kirilowii	Gua Lou Ren	瓜蒌仁
TCMH708	Trichosanthes kirilowii	Gua Lou Ren Shuang	瓜蒌仁霜
TCMH709	Trichosanthes kirilowii	Gua Lou Shi	栝蒌实
TCMH711	Trichosanthes kirilowii	Gua Lou Gen	栝楼根
TCMH712	Trichosanthes kirilowii	Gua Lou Ren(1)	栝楼仁
TCMH1770	Panax notoginseng	San Qi Gan Jin Gao	三七干浸膏
TCMH1771	Panax notoginseng	San Qi Gao Fen	三七膏粉
TCMH1772	Panax notoginseng	San Qi Hua	三七花
TCMH1774	Panax notoginseng	San Qi Jing Ye	三七茎叶
TCMH1776	Panax notoginseng	San Qi Ye	三七叶
TCMH2488	Alpinia oxyphylla	Yi Zhi	益智
TCMH309	Curcuma longa	Chuan Yu Jin	川郁金
TCMH981	Astragalus membranaceus	Huang Qi	黄芪
TCMH983	Astragalus membranaceus	Huang Qi Gan Jin Gao	黄芪干浸膏
TCMH984	Astragalus membranaceus	Huang Qi Jin Gao	黄芪浸膏
TCMH1444	Datura metel	Man Tuo Luo Ye	曼陀罗叶
TCMH1445	Datura metel	Man Tuo Luo Zi	曼陀罗子
TCMH1296	Ganoderma lucidum	Ling Zhi Jin Gao	灵芝浸膏
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH210	Terminalia chebula	Cang Qing Guo	藏青果
TCMH826	Terminalia chebula	He Zi	诃子
TCMH978	Taraxacum mongolicum	Huang Miao	黄苗
TCMH1632	Taraxacum mongolicum	Pu Gong Ying	蒲公英
TCMH2554	Polygala tenuifolia	Yuan Zhi	远志
TCMH2555	Polygala tenuifolia	Yuan Zhi Jin Gao	远志浸膏
TCMH1792	Morus alba	Sang Pi	桑皮
TCMH1797	Morus alba	Sang Ye	桑叶
TCMH2148	Cuscuta australis	Tu Si Rou	菟丝肉
TCMH2149	Cuscuta australis	Tu Si Zi	菟丝子
TCMH557	Aster tataricus	Fan Hun Cao	返魂草
TCMH939	Aster tataricus	Huai Hun Cao	还魂草
TCMH1490	Aster tataricus	Mi Zi Wan	蜜紫菀
TCMH264	Laggera pterodonta	Chu Ling Dan	臭灵丹
TCMH986	Scutellaria baicalensis	Huang Qin	黄芩
TCMH989	Scutellaria baicalensis	Huang Qin Jin Gao	黄芩浸膏
TCMH990	Scutellaria baicalensis	Huang Qin Jin Gao Fen	黄芩浸膏粉
TCMH992	Scutellaria baicalensis	Huang Qin Tan	黄芩炭
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
TCMH228	Bupleurum chinense	Chai Hu	柴胡
TCMH229	Bupleurum chinense	Chai Hu Jin Gao	柴胡浸膏
TCMH230	Bupleurum chinense	Chai Hu Shao	柴胡梢
TCMH519	Pogostemon cablin	Du Huo Xiang	杜藿香
TCMH728	Pogostemon cablin	Guang Huo Xiang	广藿香
TCMH1008	Pogostemon cablin	Huo Xiang	藿香
TCMH1009	Pogostemon cablin	Huo Xiang Ye	藿香叶
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH61	Ginkgo biloba	Bai Guo Ren	白果仁
TCMH28	Croton tiglium	Ba Dou	巴豆
TCMH29	Croton tiglium	Ba Dou Shuang	巴豆霜
TCMH305	Cnidium officinale	Chuan Xiong	川芎
TCMH814	Nelumbo nucifera	He Geng	荷梗
TCMH825	Nelumbo nucifera	He Ye	荷叶
TCMH1275	Nelumbo nucifera	Lian Zi	莲子
TCMH1276	Nelumbo nucifera	Lian Zi Xin	莲子心
TCMH1598	Nelumbo nucifera	Ou	藕
TCMH1599	Nelumbo nucifera	Ou Fen	藕粉
TCMH407	Salvia miltiorrhiza	Dan Shen	丹参
TCMH408	Salvia miltiorrhiza	Dan Shen Gan Jin Gao	丹参干浸膏
TCMH2164	Clematis chinensis	Wei Ling	威灵
TCMH1005	Cannabis sativa	Huo Ma Ren	火麻仁
TCMH195	Raphanus sativus	Cai Fu Zi	菜菔子
TCMH1239	Raphanus sativus	Lai Fu	莱菔
TCMH8	Rehmannia glutinosa	Ai Di Huang	矮地黄
TCMH451	Rehmannia glutinosa	Di Huang	地黄
TCMH453	Rehmannia glutinosa	Di Huang Tan	地黄炭
TCMH643	Rehmannia glutinosa	Gan Di Huang	干地黄
TCMH1920	Acorus tatarinowii	Shi Chang Pu	石菖蒲
TCMH1922	Acorus tatarinowii	Shi Chang Pu Jin Gao	石菖蒲浸膏
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参

Ingredient ID: TCMC1206
Formula: C21H20O11

Common Name	Galuteolin
IUPAC Name	2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
Standard InCHIKey	PEFNSGRTCBGNAN-QNDFHXLGSA-N
External Identifiers	ChEMBL [CHEMBL233929]; PubChem [5280637];
Reference of Component-Ingredient Pair	22885972

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH457	Euphorbia humifusa	Di Mian Cao	地绵草
TCMH888	Pithecellobium clypearia	Hou Er Huan Jin Gao	猴耳环浸膏
TCMH1753	Boswellia carterii	Ru Xiang	乳香
TCMH2372	Bergenia purpurascens	Yan Bai Cai	岩白菜
TCMH2012	Lycopus lucidus	Shui Ze Lan	水泽兰
TCMH313	Sedum sarmentosum	Chui Pen Cao Qing Gao	垂盆草清膏
TCMH2352	Saussurea involucrata	Xue Lian Hua	雪莲花
TCMH1333	Clerodendron cyrtophyllum	Lu Bian Qing	路边青
TCMH523	Lamiophlomis rotata	Du Yi Wei	独一味
TCMH1633	Taraxacum mongolicum	Pu Gong Ying Jin Gao	蒲公英浸膏
TCMH2253	Agrimonia pilosa var. japonica	Xian He Cao Jin Gao Fen	仙鹤草浸膏粉
TCMH2306	Buxus microphylla	Xiao Ye Huang Yang	小叶黄杨
TCMH274	Fritillaria cirrhosa	Chuan Bei Mu Liu Jin Gao	川贝母流浸膏
TCMH921	Polygonum cuspidatum	Hu Zhang	虎杖
TCMH2244	Prunella vulgaris	Xia Ku Cao	夏枯草
TCMH2642	Gardenia jasminoides	Zhi Zi Jin Gao	栀子浸膏
TCMH1380	Humulus japonicus	Lv Cao	葎草
TCMH1141	Schizonepeta tenuifolia	Jing Jie	荆芥
TCMH1096	Inula japonica	Jin Fei Cao	金沸草
TCMH800	Herba ecliptae prostratae	Han Lian Cao	旱莲草
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH614	Lemna minor	Fu Ping	浮萍
TCMH1597	Ligustrum lucidum	Nv Zhen Zi	女贞子
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH1601	Nelumbo nucifera	Ou Pian	藕片
TCMH2192	Prunus mume	Wu Mei Rou	乌梅肉
TCMH1125	Herba chrysosplenii	Jin Yao Cao	金腰草
TCMH589	Pteris multifida	Feng Wei Cao	凤尾草
TCMH1396	Portulaca oleracea	Ma Chi Xian	马齿苋
TCMH1828	Ixeris chinensis	Shan Ku Mai	山苦荬
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH2452	Chrysanthemum indicum	Ye Ju Hua	野菊花
TCMH1503	Eclipta prostrata	Mo Han Lian	墨旱莲
TCMH1376	Trachelospermum jasminoides	Luo Shi Teng	络石藤
TCMH1181	Chrysanthemum morifolium	Ju Hua	菊花
TCMH936	Platycarya strobilacea	Hua Xiang Shu Guo Xu	化香树果序
TCMH132	Scutellaria barbata	Ban Zhi Lian	半枝莲
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH2213	Ipomoea cairica	Wu Zhao Long	五爪龙
TCMH273	Fritillaria cirrhosa	Chuan Bei Mu	川贝母
TCMH312	Sedum sarmentosum	Chui Pen Cao	垂盆草
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液
TCMH2252	Agrimonia pilosa var. japonica	Xian He Cao	仙鹤草
TCMH2098	Saussurea involucrata	Tian Shan Xue Lian Hua	天山雪莲花
TCMH2351	Saussurea involucrata	Xue Lian	雪莲
TCMH978	Taraxacum mongolicum	Huang Miao	黄苗
TCMH1632	Taraxacum mongolicum	Pu Gong Ying	蒲公英
TCMH935	Platycarya strobilacea	Hua Xiang Shu Guo	化香树果
TCMH93	Prunus mume	Bai Mei Hua	白梅花
TCMH2191	Prunus mume	Wu Mei	乌梅
TCMH809	Chrysanthemum morifolium	Hang Ju	杭菊
TCMH814	Nelumbo nucifera	He Geng	荷梗
TCMH825	Nelumbo nucifera	He Ye	荷叶
TCMH1275	Nelumbo nucifera	Lian Zi	莲子
TCMH1276	Nelumbo nucifera	Lian Zi Xin	莲子心
TCMH1598	Nelumbo nucifera	Ou	藕
TCMH1599	Nelumbo nucifera	Ou Fen	藕粉
TCMH454	Euphorbia humifusa	Di Jin Cao	地锦草
TCMH886	Pithecellobium clypearia	Hou Er Huan	猴耳环
TCMH887	Pithecellobium clypearia	Hou Er Huan Gan Jin Gao	猴耳环干浸膏
TCMH1856	Gardenia jasminoides	Shan Zhi	山栀
TCMH2641	Gardenia jasminoides	Zhi Zi	栀子

Ingredient ID: TCMC1203
Formula: C8H8O5

Common Name	Gallic Acid Methyl Ester
IUPAC Name	methyl 3,4,5-trihydroxybenzoate
Canonical SMILES	COC(=O)c1cc(O)c(c(c1)O)O
Standard InCHI	InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3
Standard InCHIKey	FBSFWRHWHYMIOG-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL65675]; PubChem [7428];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1862	Cornus officinalis	Shan Zhu Yu	山茱萸
TCMH231	Litsea rotundifolia	Chai Pi Zhang	豺皮樟
TCMH1865	Paeonia obovata	Shao Yao	芍药
TCMH2133	Syneilesis palmata	Tu Er San	兔儿伞
TCMH1633	Taraxacum mongolicum	Pu Gong Ying Jin Gao	蒲公英浸膏
TCMH571	Paeonia suffruticosa	Fen Dan Pi	粉丹皮
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH2087	Grangea maderaspatana	Tian Ji Huang	田基黄
TCMH827	Terminalia chebula	He Zi Rou	诃子肉
TCMH428	Codonopsis pilosula	Dang Shen Qing Gao	党参清膏
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH366	Rheum officinale	Da Huang Liu Jin Gao	大黄流浸膏
TCMH1493	Euphorbia pekinensis	Mian Da Ji	绵大戟
TCMH1121	Cardiospermum halicacabum	Jin Si Ku Lian	金丝苦楝
TCMH500	Benincasa hispida	Dong Gua Zi	冬瓜子
TCMH2370	Commelina communis	Ya Zhi Cao	鸭跖草
TCMH430	Canavalia gladiata	Dao Dou	刀豆
TCMH1448	Mangifera indica	Mang Guo Ye	芒果叶
TCMH57	Wolfiporia cocos	Bai Fu Ling	白茯苓
TCMH2373	Rhus chinensis	Yan Fu Mu	盐肤木
TCMH2175	Galla chinensis	Wu Bei Zi	五倍子
TCMH1175	Cornus officinalis	Jiu Yu Rou	酒萸肉
TCMH426	Codonopsis pilosula	Dang Shen	党参
TCMH498	Benincasa hispida	Dong Gua Pi	冬瓜皮
TCMH363	Rheum officinale	Da Huang	大黄
TCMH365	Rheum officinale	Da Huang Jin Gao	大黄浸膏
TCMH1943	Punica granatum	Shi Liu	石榴
TCMH1944	Punica granatum	Shi Liu Pi	石榴皮
TCMH1945	Punica granatum	Shi Liu Zi	石榴子
TCMH258	Paeonia obovata	Chi Shao	赤芍
TCMH210	Terminalia chebula	Cang Qing Guo	藏青果
TCMH826	Terminalia chebula	He Zi	诃子
TCMH978	Taraxacum mongolicum	Huang Miao	黄苗
TCMH1632	Taraxacum mongolicum	Pu Gong Ying	蒲公英

Ingredient ID: TCMC1202
Formula: C7H6O5

Common Name	Gallic Acid
IUPAC Name	3,4,5-trihydroxybenzoic acid
Canonical SMILES	OC(=O)c1cc(O)c(c(c1)O)O
Standard InCHI	InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
Standard InCHIKey	LNTHITQWFMADLM-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL288114]; PubChem [370];
Reference of Component-Ingredient Pair	23800587

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH86	Ampelopsis japonica	Bai Lian	白蔹
TCMH1862	Cornus officinalis	Shan Zhu Yu	山茱萸
TCMH1895	Rhodiola sacra	Sheng Di Hong Jing Tian	圣地红景天
TCMH457	Euphorbia humifusa	Di Mian Cao	地绵草
TCMH231	Litsea rotundifolia	Chai Pi Zhang	豺皮樟
TCMH2130	Rumex obtusifolius	Tu Da Huang	土大黄
TCMH1939	Combretum indicum	Shi Jun Zi Ren	使君子仁
TCMH1865	Paeonia obovata	Shao Yao	芍药
TCMH177	Polygonum aviculare	Bian Xu	萹蓄
TCMH2133	Syneilesis palmata	Tu Er San	兔儿伞
TCMH63	Lilium brownii	Bai He Liu Jin Gao	百合流浸膏
TCMH1348	Liquidambar formosana	Lu Lu Tong	路路通
TCMH143	Albizia julibrissin	Bei He Huan	北合欢
TCMH1165	Murraya paniculata	Jiu Li Xiang	九里香
TCMH123	Pteris semipinnata	Ban Bian Qi	半边旗
TCMH1633	Taraxacum mongolicum	Pu Gong Ying Jin Gao	蒲公英浸膏
TCMH865	Carthamus tinctorius	Hong Hua	红花
TCMH120	Atractylodes macrocephala	Bai Zhu	白术
TCMH568	Euphorbia hirta	Fei Yang Cao	飞杨草
TCMH2253	Agrimonia pilosa var. japonica	Xian He Cao Jin Gao Fen	仙鹤草浸膏粉
TCMH1796	Morus alba	Sang Shen Qing Gao	桑葚清膏
TCMH1505	Quercus infectoria	Mo Shi Zi	没食子
TCMH463	Sanguisorba officinalis	Di Yu Tan	地榆炭
TCMH921	Polygonum cuspidatum	Hu Zhang	虎杖
TCMH2642	Gardenia jasminoides	Zhi Zi Jin Gao	栀子浸膏
TCMH1538	Baphicacanthus cusia	Nan Ban Lan Gen Jin Gao Fen	南板蓝根浸膏粉
TCMH2715	Ardisia japonica	Zi Jin Niu	紫金牛
TCMH1498	Ranunculus ternatus	Mao Zhao Cao	猫爪草
TCMH2375	Trigonella foenum-graecum	Yan Hu Lu Ba	盐胡芦巴
TCMH1212	Melia azedarach	Ku Lian Zi	苦楝子
TCMH2435	Myrica rubra	Yang Mei Gen	杨梅根
TCMH571	Paeonia suffruticosa	Fen Dan Pi	粉丹皮
TCMH741	Fructus choerospondiatis	Guang Zao	广枣
TCMH213	Boschniakia rossica	Cao Cong Rong	草苁蓉
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH2087	Grangea maderaspatana	Tian Ji Huang	田基黄
TCMH700	Drynaria fortunei	Gu Sui Bu	骨碎补
TCMH827	Terminalia chebula	He Zi Rou	诃子肉
TCMH2462	Crataegus pinnatifida	Ye Shan Zha	野山楂
TCMH1025	Loropetalum chinense	Ji Mu Ye Jin Gao	继木叶浸膏
TCMH517	Angelica pubescens	Du Huo	独活
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH1299	Ganoderma lucidum	Ling Zhi(1)	灵芝
TCMH2353	Lespedeza bicolor	Xue Ren Shen	血人参
TCMH428	Codonopsis pilosula	Dang Shen Qing Gao	党参清膏
TCMH1322	Solanum nigrum	Long Kui	龙葵
TCMH1708	Polygonum bistorta	Quan Shen	拳参
TCMH2286	Berberis julianae	Xiao Bo Gen	小檗根
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH685	Syzygium aromaticum	Gong Ding Xiang	公丁香
TCMH366	Rheum officinale	Da Huang Liu Jin Gao	大黄流浸膏
TCMH1601	Nelumbo nucifera	Ou Pian	藕片
TCMH2740	Trachycarpus fortunei	Zong Lv Zi	棕榈子
TCMH37	Smilax china	Ba Qia	菝葜
TCMH1518	Chaenomeles sinensis	Mu Gua	木瓜
TCMH1966	Rehmannia glutinosa	Shu Di Huang	熟地黄
TCMH1798	Morus alba	Sang Zhi	桑枝
TCMH670	Ligusticum sinense	Gao Ben	藁本
TCMH1033	Centella asiatica	Ji Xue Cao	积雪草
TCMH1958	Diospyros kaki	Shi Ye	柿叶
TCMH2056	Cynomorium songaricum	Suo Yang	锁阳
TCMH2278	Abrus precatorius	Xiang Si Zi	相思子
TCMH1359	Pyrola calliantha	Lu Xian Cao	鹿衔草
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH1090	Brassica juncea	Jie Zi	芥子
TCMH1121	Cardiospermum halicacabum	Jin Si Ku Lian	金丝苦楝
TCMH759	Dimocarpus longan	Gui Yuan	桂圆
TCMH500	Benincasa hispida	Dong Gua Zi	冬瓜子
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH2044	Caesalpinia sappan	Su Mu	苏木
TCMH1448	Mangifera indica	Mang Guo Ye	芒果叶
TCMH559	Psidium guajava	Fan Shi Liu Ye	番石榴叶
TCMH1483	Tussilago farfara	Mi Kuan Dong Hua	蜜款冬花
TCMH1376	Trachelospermum jasminoides	Luo Shi Teng	络石藤
TCMH2607	Phyllanthus urinaria	Zhen Zhu Cao	珍珠草
TCMH1135	Rosa laevigata	Jin Ying Zi Ti Qu Ye	金樱子提取液
TCMH2373	Rhus chinensis	Yan Fu Mu	盐肤木
TCMH1466	Rosa rugosa	Mei Gui Hua	玫瑰花
TCMH1247	Geranium wilfordii	Lao Guan Cao	老鹳草
TCMH936	Platycarya strobilacea	Hua Xiang Shu Guo Xu	化香树果序
TCMH901	Saxifraga stolonifera	Hu Er Cao	虎耳草
TCMH2558	Rosa chinensis	Yue Ji Hua	月季花
TCMH2165	Potentilla chinensis	Wei Ling Cai	委陵菜
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH2135	Glycyrrhiza uralensis	Tu Gan Cao	土甘草
TCMH1686	Canarium album	Qing Guo Tan	青果炭
TCMH2175	Galla chinensis	Wu Bei Zi	五倍子
TCMH1965	Rheum palmatum	Shu Da Huang	熟大黄
TCMH1437	Rhododendron dauricum	Man Shan Hong	满山红
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH358	Areca catechu	Da Fu Zi	大腹子
TCMH79	Sinapis alba	Bai Jie Zi	白芥子
TCMH737	Crataegus pinnatifida	Guang Shan Zha	广山楂
TCMH1848	Crataegus pinnatifida	Shan Zha	山楂
TCMH1849	Crataegus pinnatifida	Shan Zha Chou Gao	山楂稠膏
TCMH1852	Crataegus pinnatifida	Shan Zha Qing Gao	山楂清膏
TCMH1853	Crataegus pinnatifida	Shan Zha Tan	山楂炭
TCMH1175	Cornus officinalis	Jiu Yu Rou	酒萸肉
TCMH2733	Trachycarpus fortunei	Zong Ban	棕板
TCMH2734	Trachycarpus fortunei	Zong Ban Tan	棕板炭
TCMH2738	Trachycarpus fortunei	Zong Lv Pi	棕榈皮
TCMH62	Lilium brownii	Bai He	百合
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液
TCMH426	Codonopsis pilosula	Dang Shen	党参
TCMH498	Benincasa hispida	Dong Gua Pi	冬瓜皮
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH2252	Agrimonia pilosa var. japonica	Xian He Cao	仙鹤草
TCMH592	Liquidambar formosana	Feng Xiang Ye	枫香叶
TCMH594	Liquidambar formosana	Feng Xiang Zhi Chou Gao	枫香脂稠膏
TCMH310	Melia azedarach	Chuan Lian	川楝
TCMH1211	Melia azedarach	Ku Lian Pi	苦楝皮
TCMH363	Rheum officinale	Da Huang	大黄
TCMH365	Rheum officinale	Da Huang Jin Gao	大黄浸膏
TCMH2465	Phyllanthus urinaria	Ye Xia Zhu	叶下珠
TCMH1943	Punica granatum	Shi Liu	石榴
TCMH1944	Punica granatum	Shi Liu Pi	石榴皮
TCMH1945	Punica granatum	Shi Liu Zi	石榴子
TCMH258	Paeonia obovata	Chi Shao	赤芍
TCMH279	Angelica pubescens	Chuan Du Huo	川独活
TCMH1296	Ganoderma lucidum	Ling Zhi Jin Gao	灵芝浸膏
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH210	Terminalia chebula	Cang Qing Guo	藏青果
TCMH826	Terminalia chebula	He Zi	诃子
TCMH978	Taraxacum mongolicum	Huang Miao	黄苗
TCMH1632	Taraxacum mongolicum	Pu Gong Ying	蒲公英
TCMH462	Sanguisorba officinalis	Di Yu	地榆
TCMH935	Platycarya strobilacea	Hua Xiang Shu Guo	化香树果
TCMH1792	Morus alba	Sang Pi	桑皮
TCMH1797	Morus alba	Sang Ye	桑叶
TCMH2277	Abrus precatorius	Xiang Si Teng	相思藤
TCMH1927	Diospyros kaki	Shi Di	柿蒂
TCMH814	Nelumbo nucifera	He Geng	荷梗
TCMH825	Nelumbo nucifera	He Ye	荷叶
TCMH1275	Nelumbo nucifera	Lian Zi	莲子
TCMH1276	Nelumbo nucifera	Lian Zi Xin	莲子心
TCMH1598	Nelumbo nucifera	Ou	藕
TCMH1599	Nelumbo nucifera	Ou Fen	藕粉
TCMH182	Areca catechu	Bing Lang	槟榔
TCMH486	Syzygium aromaticum	Ding Xiang	丁香
TCMH650	Canarium album	Gan Lan	橄榄
TCMH1683	Canarium album	Qing Guo	青果
TCMH1537	Baphicacanthus cusia	Nan Ban Lan Gen	南板蓝根
TCMH1223	Tussilago farfara	Kuan Dong Hua	款冬花
TCMH454	Euphorbia humifusa	Di Jin Cao	地锦草
TCMH1794	Morus alba	Sang Shen	桑葚
TCMH1795	Morus alba	Sang Shen Jin Gao	桑葚浸膏
TCMH628	Glycyrrhiza uralensis	Gan Cao	甘草
TCMH629	Glycyrrhiza uralensis	Gan Cao Fen	甘草粉
TCMH630	Glycyrrhiza uralensis	Gan Cao Gan Gao	甘草干膏
TCMH631	Glycyrrhiza uralensis	Gan Cao Gan Gao Fen	甘草干膏粉
TCMH632	Glycyrrhiza uralensis	Gan Cao Gan Jin Gao	甘草干浸膏
TCMH633	Glycyrrhiza uralensis	Gan Cao Gao	甘草膏
TCMH634	Glycyrrhiza uralensis	Gan Cao Jie	甘草节
TCMH635	Glycyrrhiza uralensis	Gan Cao Jin Gao	甘草浸膏
TCMH636	Glycyrrhiza uralensis	Gan Cao Liu Jin Gao	甘草流浸膏
TCMH1475	Glycyrrhiza uralensis	Mi Gan Cao	蜜甘草
TCMH1899	Glycyrrhiza uralensis	Sheng Gan Cao	生甘草
TCMH1133	Rosa laevigata	Jin Ying Zi	金樱子
TCMH1134	Rosa laevigata	Jin Ying Zi Rou	金樱子肉
TCMH8	Rehmannia glutinosa	Ai Di Huang	矮地黄
TCMH451	Rehmannia glutinosa	Di Huang	地黄
TCMH453	Rehmannia glutinosa	Di Huang Tan	地黄炭
TCMH643	Rehmannia glutinosa	Gan Di Huang	干地黄
TCMH1856	Gardenia jasminoides	Shan Zhi	山栀
TCMH2641	Gardenia jasminoides	Zhi Zi	栀子

Ingredient ID: TCMC1179
Formula: C15H10O2

Common Name	Flavone
IUPAC Name	2-phenylchromen-4-one
Canonical SMILES	O=c1cc(oc2c1cccc2)c1ccccc1
Standard InCHI	InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
Standard InCHIKey	VHBFFQKBGNRLFZ-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL275638]; PubChem [10680];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2104	Folium aconiti szechenyiani	Tie Bang Chui Ye	铁棒锤叶
TCMH1154	Ilex rotunda	Jiu Bi Ying	救必应
TCMH2303	Pericarpium citri reticulatae viride	Xiao Qing Pi	小青皮
TCMH733	Desmodium styracifolium	Guang Jin Qian Cao	广金钱草
TCMH1519	Oroxylum indicum	Mu Hu Die	木蝴蝶
TCMH2646	Rhizoma paridis	Chong Lou	重楼
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH2370	Commelina communis	Ya Zhi Cao	鸭跖草
TCMH1181	Chrysanthemum morifolium	Ju Hua	菊花
TCMH1784	Radix tetrastigmatis hemsleyani	San Ye Qing	三叶青
TCMH458	Pericarpium citri reticulatae viride	Di Qing Pi	地青皮
TCMH1695	Pericarpium citri reticulatae viride	Qing Pi	青皮
TCMH809	Chrysanthemum morifolium	Hang Ju	杭菊

Ingredient ID: TCMC1142
Formula: C12H11NO3

Common Name	Ethyl 2-Oxo-1H-Quinoline-4-Carboxylate
IUPAC Name	ethyl 2-oxo-1H-quinoline-4-carboxylate
Canonical SMILES	CCOC(=O)c1cc(O)nc2c1cccc2
Standard InCHI	InChI=1S/C12H11NO3/c1-2-16-12(15)9-7-11(14)13-10-6-4-3-5-8(9)10/h3-7H,2H2,1H3,(H,13,14)
Standard InCHIKey	WTHATVQLTWYSCI-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1561047]; PubChem [160782];
Reference of Component-Ingredient Pair	2178313

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH120	Atractylodes macrocephala	Bai Zhu	白术
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子

Ingredient ID: TCMC1041
Formula: C14H10O9

Common Name	Digallic Acid
IUPAC Name	3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoic acid
Canonical SMILES	O=C(c1cc(O)c(c(c1)O)O)Oc1cc(cc(c1O)O)C(=O)O
Standard InCHI	InChI=1S/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21)
Standard InCHIKey	COVFEVWNJUOYRL-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL366356]; PubChem [341];
Reference of Component-Ingredient Pair	22686580

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH86	Ampelopsis japonica	Bai Lian	白蔹
TCMH231	Litsea rotundifolia	Chai Pi Zhang	豺皮樟
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH1117	Rhizoma fagopyri cymosi	Jin Qiao Mai	金荞麦
TCMH828	Radix aconiti kusnezoffii	Hei Cao Wu	黑草乌
TCMH1448	Mangifera indica	Mang Guo Ye	芒果叶
TCMH2373	Rhus chinensis	Yan Fu Mu	盐肤木
TCMH2175	Galla chinensis	Wu Bei Zi	五倍子
TCMH222	Aconitum carmichaelii	Cao Wu	草乌
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC495	C7H6O2	4-Hydroxybenzaldehyde	122.04	-0.6527	2.01	1.484	1	1	37.3	2	1	9	0
TCMC559	C15H10N2O2	5-Methoxycanthinone	250.07	-0.6656	2.67	3.049	4	0	44.12	2	4	19	0
TCMC753	C9H16O4	Azelaic Acid	188.1	-1.85	2.01	1.713	4	2	74.6	10	0	13	0
TCMC805	C30H46O3	Betunolic Acid	454.34	2.9192	4.43	8.8	3	1	54.37	9	5	33	1
TCMC830	C23H26N2O4	Brucine	394.19	-0.8877	3.33	0.632	4	0	51.24	4	7	29	0
TCMC865	C14H8N2O	Canthin-6-One	220.06	-0.2737	2.67	2.809	3	0	34.89	0	4	17	0
TCMC955	C4H6O2	Crotonic Acid	86.04	0.5608	1.68	0.736	2	1	37.3	3	0	6	0
TCMC1041	C14H10O9	Digallic Acid	322.03	-2.6324	2.01	0.395	3	6	164.75	10	2	23	1
TCMC1142	C12H11NO3	Ethyl 2-Oxo-1H-Quinoline-4-Carboxylate	217.07	-0.1987	2.34	2.546	3	1	59.42	5	2	16	0
TCMC1179	C15H10O2	Flavone	222.07	-0.5036	2.89	5.3	1	0	26.3	1	3	17	1
TCMC1202	C7H6O5	Gallic Acid	170.02	-1.6207	1.68	0.002	2	4	97.99	5	1	12	0
TCMC1203	C8H8O5	Gallic Acid Methyl Ester	184.04	-1.3697	1.79	0.323	2	3	86.99	6	1	13	0
TCMC1206	C21H20O11	Galuteolin	448.1	-4.0917	2.56	-0.075	6	7	186.37	11	4	32	1
TCMC1495	C18H32O2	Linoleic Acid	280.24	-0.9485	3.22	7.865	2	1	37.3	16	0	20	2
TCMC1516	C15H10O6	Luteolin	286.05	-2.3448	2.45	1.033	1	4	107.22	5	3	21	0
TCMC1599	C30H46O3	Moronic Acid	454.34	2.8271	4.43	9.064	3	1	54.37	9	5	33	1
TCMC1634	C14H8N2O2		236.06	-0.734	2.56	1.635	3	1	55.12	1	4	18	0
TCMC1646	C21H26O10		438.15	-2.2125	2.67	-0.29	10	4	159.82	9	5	31	0
TCMC1788	C18H34O2	Oleic Acid	282.26	-2.3427	3.22	8.192	2	1	37.3	17	0	20	2
TCMC1830	C16H32O2	Palmitic Acid	256.24	-3.8977	3	7.57	2	1	37.3	16	0	18	2
TCMC1899	C20H22O6	Pinoresinol	358.14	-2.0222	3	1.684	2	2	77.38	8	4	26	0
TCMC2105	C18H36O2	Stearic Acid	284.27	-4.4737	3.22	8.708	2	1	37.3	18	0	20	2
TCMC2222	C8H8O4	Vanillic Acid	168.04	-0.7519	1.9	0.626	2	2	66.76	5	1	12	0
TCMC2223	C8H8O3	Vanillin	152.05	-0.7045	2.01	1.04	1	1	46.53	4	1	11	0
TCMC2345	C29H38O16	Yadanzioside I	642.22	-3.9243	2.89	-1.714	16	6	245.04	17	6	45	2
TCMC2359	C20H26O9	Bruceine D	410.16	-2.6909	2.67	-0.922	9	5	153.75	8	5	29	0
TCMC2376	C30H38O13	Bruceantinol	606.23	-0.5229	3.33	0.816	13	3	192.19	18	5	43	1
TCMC2437	C23H28O11	Bruceine B	480.16	-1.8334	2.78	0.021	11	3	165.89	11	5	34	1
TCMC2443	C26H34O11	Bruceine A	522.21	-1.2356	3.11	1.351	11	3	165.89	14	5	37	1
TCMC2471	C26H32O11	Brusatol	520.19	-0.3938	3.11	0.899	11	3	165.89	13	5	37	1
TCMC2536	C15H10N2O3	Picrasidine Q	266.07	-1.2287	2.56	2.635	5	1	64.35	3	4	20	0
TCMC2623	C28H36O11	Bruceantin	548.23	-0.4629	3.33	1.867	11	3	165.89	15	5	39	1
TCMC2650	C12H14O4	Dillapiole	222.09	0.6224	2.34	1.831	0	0	36.92	6	2	16	0
TCMC2656	C14H8N2O2		236.06	-0.297	2.56	2.258	2	0	47.46	0	4	18	0
TCMC2694	C20H24O6	Isolariciresinol	360.16	-2.2141	3	1.061	2	4	99.38	11	3	26	0
TCMC2721	C20H26O10	Yadanziolide A	426.15	-3.5791	2.56	-1.196	10	6	173.98	9	5	30	1
TCMC2746	C29H38O16	Yadanzioside F	642.22	-4.0141	2.89	-1.466	16	6	245.04	17	6	45	2
TCMC2798	C28H36O12	Bruceine C	564.22	-0.902	3.22	0.076	12	4	186.12	16	5	40	1
TCMC3252	C26H32O11	Brusatol	520.1944618	-0.3938	3.11	0.899	11	3	165.89	5	5	37	1
TCMC3364	C21H26O10	Bruceolide	438.152597	-2.2125	2.67	-0.29	10	4	159.82	2	5	31	0
TCMC3845	C20H26O9	Bruceine D	410.1576824	-2.6909	2.67	-0.922	9	5	153.75	0	5	29	0
TCMC3846	C32H42O16	Bruceoside A	682.2472853	-2.5745	3.22	-0.588	16	6	245.04	8	6	48	2
TCMC3902	C20H18O8	Cleomiscosin A	386.1001675	-1.1793	2.78	0.473	2	2	94.45	4	4	28	0
TCMC4194	C32H42O16	Bruceoside B	682.2472853	-2.4847	3.22	-0.836	16	6	245.04	8	6	48	2
TCMC4195	C29H38O16	Yadanzioside F	642.2159851	-4.0141	2.89	-1.466	16	6	245.04	7	6	45	2
TCMC4317	C30H38O13	Bruceantinol	606.2312413	-0.5229	3.33	0.816	13	3	192.19	8	5	43	1
TCMC4451	C28H36O12	Bruceine C	564.2206766	-0.902	3.22	0.076	12	4	186.12	6	5	40	1
TCMC4452	C20H28O9	Bruceine E	412.1733325	-2.7244	2.67	-0.915	9	6	156.91	0	5	29	1
TCMC4453	C20H28O10	Bruceine F	428.1682471	-3.6126	2.56	-1.189	10	7	177.14	1	5	30	1
TCMC4969	C17H12N2O4	Flazin	307.0718818	-1.9408	2.67	1.936	5	2	102.18	3	4	23	0
TCMC5007	C21H20O11	Luteolin 7-O-Β-D-Galactoside	448.1005615	-3.8993	2.56	-0.492	9	7	177.14	4	4	32	1
TCMC5022	C39H72O5	Anticancer Glycerol Ester Pmv70P691-119	620.5379754	-4.8755	5.2	16.144	5	1	72.83	36	0	44	2
TCMC5355	C20H26O10	Bruceine H	426.152597	-3.5791	2.56	-1.196	10	6	173.98	1	5	30	1
TCMC5394	C20H26O9	Yadanziolide C	410.1576824	-2.6909	2.67	-0.922	9	5	153.75	0	5	29	0
TCMC5399	C37H50O18	Yadanzioside O	782.2997148	-3.0387	3.55	-0.207	18	6	271.34	12	6	55	3
TCMC5633	C26H36O11	Javanicolide C	524.225762	-1.2449	3.11	0.923	11	4	169.05	5	5	37	1
TCMC5705	C28H38O12	Javanicolide D	566.2363267	-1.1313	3.22	-0.6	12	5	189.28	6	5	40	1
TCMC5784	C34H46O16	Yadanzioside P	710.2785854	-2.5538	3.44	0.132	16	6	245.04	9	6	50	2
TCMC6358	C34H40O16	Yadanzioside M	704.2316352	-4.024	3.44	1.28	16	6	245.04	8	7	50	2
TCMC6359	C32H42O16	Bruceoside C	682.2472853	-2.5988	3.22	-1.102	16	6	245.04	8	6	48	2
TCMC6459	C34H46O16	Bruceantinoside A	710.2785854	-2.6436	3.44	0.38	16	6	245.04	9	6	50	2
TCMC6460	C30H50O3	Fouquierone	458.3759955	2.4143	4.43	7.667	3	2	57.53	5	4	33	1
TCMC6509	C29H38O16	Yadanzioside I	642.2159851	-3.9243	2.89	-1.714	16	6	245.04	7	6	45	2
TCMC6510	C34H46O17	Yadanzioside L	726.2735	-2.9929	3.33	-1.659	17	7	265.27	9	6	51	2
TCMC7073	C30H50O4	Isofouquierone Peroxide	474.3709101	2.884	4.32	7.826	4	2	66.76	5	4	34	1
TCMC7097	C26H38O14	Bruceine E 2-Β-D-Glucopyranoside	574.2261559	-4.4713	2.78	-2.452	14	9	236.06	3	6	40	2
TCMC7141	C20H26O8	Bruceene	394.1627678	-2.1482	2.78	-0.172	8	5	136.68	0	5	28	0
TCMC7188	C32H44O16	Yadanzioside A	684.2629353	-3.4163	3.22	-0.136	16	6	245.04	9	6	48	2
TCMC7189	C34H46O17	Yadanzioside C	726.2735	-3.0827	3.33	-1.411	17	7	265.27	9	6	51	2
TCMC7190	C32H44O16	Yadanzioside E	684.2629353	-2.37	3.22	-1.314	16	7	248.2	8	6	48	2
TCMC7191	C36H48O18	Yadanzioside G	768.2840647	-2.7036	3.44	-0.671	18	6	271.34	11	6	54	3
TCMC7192	C32H46O16	Yadanzioside H	686.2785854	-3.2118	3.22	-0.862	16	7	248.2	9	6	48	2
TCMC7193	C32H44O17	Yadanzioside J	700.2578499	-3.8554	3.11	-1.468	17	7	265.27	9	6	49	2
TCMC7194	C34H46O16	Yadanzioside N	710.2785854	-2.805	3.44	0.38	16	6	245.04	9	6	50	2
TCMC7266	C20H26O8	Bruceine G	394.1627678	-2.0941	2.78	-0.925	8	4	133.52	0	5	28	0

Download Data

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Data Section	Select to Download
1. General Information of the Component
2. TCM Prescriptions with the Component
3. Putative Targets
4. Activity & References for Filtering Putative Targets
5. Ingredient Data & Chemical Structure Information (Properties, InChI, InChIkey, SMILES, etc.)

Component: Brucea javanica 鸦胆子

Description of the Component

Component ID

Latin Name

English Name

Chinese Pinyin Name

中文名

TCM Properties

TCM Meridians

Therapeutic Class English

Therapeutic Class Chinese

Functions

Toxicity

Geo-authentic habitats (道地产区)

Reference

Barcode ID

Barcode Source

TCM Prescriptions with the Component

Targeted Human Proteins by the Ingredient of Component

Targeted Pathogenic Microbes by the Ingredient of Component

Ingredient Structrues

Ingredient ID: TCMC955

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC865

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC830

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC805

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC753

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7266

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7194

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7193

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7192

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7191

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7190

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7189

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7188

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7141

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7097

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7073

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6510

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6509

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6460

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6459

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6359

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6358

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5784

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5705

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5633

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC559

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5399

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5394

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5355

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5022