TCM-ID Component

Description of the Component

Component ID	TCMH104
Latin Name	Paeonia lactiflora
English Name	Common peony
Chinese Pinyin Name	Bai Shao
中文名	白芍
TCM Properties	Minor cold,Sour,Bitter
TCM Meridians	Spleen,Liver
Therapeutic Class English	For tonifying weakness
Therapeutic Class Chinese	补虚
Functions	nourish blood and consolidate the yin, pacify the liver and stop pain, soothe liver yang
Toxicity	NA
Geo-authentic habitats (道地产区)	Zhejiang Province
Reference	Chinese Pharmacopoeia (2015)
Barcode ID	ITSAH2416-14
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name

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
TCMT13	APEX1	DNA-(apurinic or apyrimidinic site) lyase	Lyase	P27695
TCMT17	POLB	DNA polymerase beta	Transferase	P06746
TCMT2	MAPT	Microtubule-associated protein tau	Unclassified	P10636
TCMT207	BACE1	Beta-secretase 1	Protease	P56817
TCMT261	DAPK1	Death-associated protein kinase 1	Kinase	P53355
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT560	F10	Coagulation factor X	Unclassified	P00742
TCMT588	DAO	D-amino-acid oxidase	Oxidoreductase	P14920
TCMT601	F2	Thrombin	Unclassified	P00734
TCMT654	GRM5	Metabotropic glutamate receptor 5	GPCR	P41594
TCMT8	KDM4E	Lysine-specific demethylase 4D-like	Oxidoreductase	B2RXH2
TCMT80	MAPK1	MAP kinase ERK2	Kinase	P28482
TCMT82	ESR1	Estrogen receptor alpha	Nuclear receptor	P03372

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1189	Pseudomonas fluorescens
TCMT1222	Plasmodium falciparum D6
TCMT1438	Plasmodium falciparum
TCMT1465	Entamoeba histolytica

Ingredient Structrues

Ingredient ID: TCMC913
Formula: C15H14O6

Common Name	Cianidanol
IUPAC Name	(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Canonical SMILES	Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](Cc2c(c1)O)O
Standard InCHI	InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Standard InCHIKey	PFTAWBLQPZVEMU-DZGCQCFKSA-N
External Identifiers	ChEMBL [CHEMBL311498]; PubChem [9064];
Reference of Component-Ingredient Pair	26452509

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH86	Ampelopsis japonica	Bai Lian	白蔹
TCMH2595	Rhododendron micranthum	Zhao Shan Bai	照山白
TCMH1739	Ficus microcarpa	Rong Shu Ye	榕树叶
TCMH945	Sophora japonica	Huai Zhi	槐枝
TCMH924	Zanthoxylum bungeanum	Hua Jiao	花椒
TCMH695	Uncaria rhynchophylla	Gou Teng	钩藤
TCMH1865	Paeonia obovata	Shao Yao	芍药
TCMH810	Paeonia albiflora	Hang Shao	杭芍
TCMH2506	Ginkgo biloba	Yin Xing Ye	银杏叶
TCMH1011	Sargentodoxa cuneata	Huo Xue Teng	活血藤
TCMH63	Lilium brownii	Bai He Liu Jin Gao	百合流浸膏
TCMH1165	Murraya paniculata	Jiu Li Xiang	九里香
TCMH123	Pteris semipinnata	Ban Bian Qi	半边旗
TCMH2134	Smilax glabra	Tu Fu Ling	土茯苓
TCMH2081	Actinidia arguta	Teng Li Gen	藤梨根
TCMH568	Euphorbia hirta	Fei Yang Cao	飞杨草
TCMH463	Sanguisorba officinalis	Di Yu Tan	地榆炭
TCMH765	Entada phaseoloides	Guo Gang Long Jin Gao	过岗龙浸膏
TCMH921	Polygonum cuspidatum	Hu Zhang	虎杖
TCMH2642	Gardenia jasminoides	Zhi Zi Jin Gao	栀子浸膏
TCMH1589	Rumex patientia	Niu Xi Xi	牛西西
TCMH1682	Artemisia carvifolia	Qing Hao Zi	青蒿子
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH561	Senegalia catechu	Fang Er Cha	方儿茶
TCMH2218	Rubia cordifolia	Qian Cao Teng	茜草藤
TCMH571	Paeonia suffruticosa	Fen Dan Pi	粉丹皮
TCMH427	Rhizoma codonopsis pilosulae	Dang Shen Lu Tou	党参芦头
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
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH2215	Ficus simplicissima	Wu Zhi Mao Tao	五指毛桃
TCMH226	Camellia sinensis	Cha Ye	茶叶
TCMH409	Salvia miltiorrhiza	Dan Shen Jin Gao	丹参浸膏
TCMH215	Alpinia katsumadai	Cao Dou Kou Ren	草豆蔻仁
TCMH700	Drynaria fortunei	Gu Sui Bu	骨碎补
TCMH2462	Crataegus pinnatifida	Ye Shan Zha	野山楂
TCMH526	Eucommia ulmoides	Du Zhong Ye	杜仲叶
TCMH1299	Ganoderma lucidum	Ling Zhi(1)	灵芝
TCMH1322	Solanum nigrum	Long Kui	龙葵
TCMH1708	Polygonum bistorta	Quan Shen	拳参
TCMH1446	Vaccinium oxycoccos	Man Yue Mei	蔓越莓
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH1227	Tripterygium hypoglaucum	Kun Ming Shan Hai Tang	昆明山海棠
TCMH2232	Scutellaria amoena	Xi Nan Huang Qin	西南黄芩
TCMH1930	Umbilicaria esculenta	Shi Er	石耳
TCMH2571	Gleditsia sinensis	Zao Jiao Zhen	皂角针
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
TCMH255	Vigna angularis	Chi Dou	赤豆
TCMH37	Smilax china	Ba Qia	菝葜
TCMH1518	Chaenomeles sinensis	Mu Gua	木瓜
TCMH1735	Kummerowia striata	Ren Zi Cao	人字草
TCMH2192	Prunus mume	Wu Mei Rou	乌梅肉
TCMH1798	Morus alba	Sang Zhi	桑枝
TCMH1033	Centella asiatica	Ji Xue Cao	积雪草
TCMH1117	Rhizoma fagopyri cymosi	Jin Qiao Mai	金荞麦
TCMH1452	Gerbera piloselloides	Mao Da Ding Cao	毛大丁草
TCMH2056	Cynomorium songaricum	Suo Yang	锁阳
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH1090	Brassica juncea	Jie Zi	芥子
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH1448	Mangifera indica	Mang Guo Ye	芒果叶
TCMH1135	Rosa laevigata	Jin Ying Zi Ti Qu Ye	金樱子提取液
TCMH1181	Chrysanthemum morifolium	Ju Hua	菊花
TCMH1367	Apocynum venetum	Luo Bu Ma	罗布麻
TCMH1466	Rosa rugosa	Mei Gui Hua	玫瑰花
TCMH920	Quercus dentata	Hu Ye Gan Jin Gao	槲叶干浸膏
TCMH936	Platycarya strobilacea	Hua Xiang Shu Guo Xu	化香树果序
TCMH901	Saxifraga stolonifera	Hu Er Cao	虎耳草
TCMH1741	Myristica fragrans	Rou Dou Kou	肉豆蔻
TCMH1965	Rheum palmatum	Shu Da Huang	熟大黄
TCMH358	Areca catechu	Da Fu Zi	大腹子
TCMH2291	Radix glycyrrhizae	Xiao Gan Cao	小甘草
TCMH79	Sinapis alba	Bai Jie Zi	白芥子
TCMH214	Alpinia katsumadai	Cao Dou Kou	草豆蔻
TCMH385	Sargentodoxa cuneata	Da Xue Teng	大血藤
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
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
TCMH483	Kummerowia striata	Ding Kui Cao	丁葵草
TCMH1039	Kummerowia striata	Ji Yan Cao	鸡眼草
TCMH524	Eucommia ulmoides	Du Zhong	杜仲
TCMH525	Eucommia ulmoides	Du Zhong Tan	杜仲炭
TCMH764	Entada phaseoloides	Guo Gang Long	过岗龙
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH1738	Ficus microcarpa	Rong Shu Xu	榕树须
TCMH2369	Gleditsia sinensis	Ya Zao	牙皂
TCMH2569	Gleditsia sinensis	Zao Jia	皂荚
TCMH938	Sophora japonica	Huai Hua	槐花
TCMH940	Sophora japonica	Huai Jiao	槐角
TCMH941	Sophora japonica	Huai Mi	槐米
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
TCMH1296	Ganoderma lucidum	Ling Zhi Jin Gao	灵芝浸膏
TCMH462	Sanguisorba officinalis	Di Yu	地榆
TCMH1681	Artemisia carvifolia	Qing Hao	青蒿
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
TCMH93	Prunus mume	Bai Mei Hua	白梅花
TCMH2191	Prunus mume	Wu Mei	乌梅
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH61	Ginkgo biloba	Bai Guo Ren	白果仁
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH105	Paeonia lactiflora	Bai Shao Gan Jin Gao	白芍干浸膏
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
TCMH182	Areca catechu	Bing Lang	槟榔
TCMH92	Gerbera piloselloides	Bai Mei	白眉
TCMH407	Salvia miltiorrhiza	Dan Shen	丹参
TCMH408	Salvia miltiorrhiza	Dan Shen Gan Jin Gao	丹参干浸膏
TCMH1133	Rosa laevigata	Jin Ying Zi	金樱子
TCMH1134	Rosa laevigata	Jin Ying Zi Rou	金樱子肉
TCMH51	Camellia sinensis	Bai Cha	白茶
TCMH1856	Gardenia jasminoides	Shan Zhi	山栀
TCMH2641	Gardenia jasminoides	Zhi Zi	栀子

Ingredient ID: TCMC90
Formula: C15H14O7

Common Name	(2S,3S)-2-(3,4,5-Trihydroxy-Phenyl)-Chroman-3,5,7-Triol
IUPAC Name	(2S,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Canonical SMILES	Oc1cc2O[C@@H](c3cc(O)c(c(c3)O)O)[C@H](Cc2c(c1)O)O
Standard InCHI	InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m0/s1
Standard InCHIKey	XMOCLSLCDHWDHP-WFASDCNBSA-N
External Identifiers	ChEMBL [CHEMBL130415]; PubChem [10425234];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1865	Paeonia obovata	Shao Yao	芍药
TCMH810	Paeonia albiflora	Hang Shao	杭芍
TCMH561	Senegalia catechu	Fang Er Cha	方儿茶
TCMH700	Drynaria fortunei	Gu Sui Bu	骨碎补
TCMH2462	Crataegus pinnatifida	Ye Shan Zha	野山楂
TCMH1322	Solanum nigrum	Long Kui	龙葵
TCMH1798	Morus alba	Sang Zhi	桑枝
TCMH1038	Spatholobus suberectus	Ji Xue Teng Gao	鸡血藤膏
TCMH1367	Apocynum venetum	Luo Bu Ma	罗布麻
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
TCMH258	Paeonia obovata	Chi Shao	赤芍
TCMH469	Spatholobus suberectus	Dian Ji Xue Teng Gao Fen	滇鸡血藤膏粉
TCMH1036	Spatholobus suberectus	Ji Xue Teng	鸡血藤
TCMH1037	Spatholobus suberectus	Ji Xue Teng Gan Gao	鸡血藤干膏
TCMH1792	Morus alba	Sang Pi	桑皮
TCMH1797	Morus alba	Sang Ye	桑叶
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH105	Paeonia lactiflora	Bai Shao Gan Jin Gao	白芍干浸膏

Ingredient ID: TCMC876
Formula: C34H24O22

Common Name	Casuariin
IUPAC Name	n.a.
Canonical SMILES	O[C@@H]1COC(=O)c2cc(O)c(c(c2c2c(C(=O)O[C@H]1[C@@H]1OC(=O)c3cc(O)c(c(c3c3c4C(=O)O[C@H]1[C@H](O)c4c(O)c(c3O)O)O)O)cc(O)c(c2O)O)O)O
Standard InCHI	InChI=1S/C34H24O22/c35-8-1-5-12(21(42)18(8)39)13-6(2-9(36)19(40)22(13)43)32(50)54-28(11(38)4-53-31(5)49)30-29-26(47)17-16(34(52)55-29)15(24(45)27(48)25(17)46)14-7(33(51)56-30)3-10(37)20(41)23(14)44/h1-3,11,26,28-30,35-48H,4H2/t11-,26-,28-,29+,30+/m1/s1
Standard InCHIKey	CHBITXAMNKHJCR-JNUHSSLSSA-N
External Identifiers	ChEMBL [CHEMBL509562]; PubChem [14035442];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1939	Combretum indicum	Shi Jun Zi Ren	使君子仁
TCMH810	Paeonia albiflora	Hang Shao	杭芍
TCMH2072	Rhodomyrtus tomentosa	Tao Jin Niang Gen	桃金娘根
TCMH685	Syzygium aromaticum	Gong Ding Xiang	公丁香
TCMH559	Psidium guajava	Fan Shi Liu Ye	番石榴叶
TCMH668	Rhodomyrtus tomentosa	Gang Ren Zi	岗稔子
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH105	Paeonia lactiflora	Bai Shao Gan Jin Gao	白芍干浸膏
TCMH486	Syzygium aromaticum	Ding Xiang	丁香

Ingredient ID: TCMC770
Formula: C7H6O2

Common Name	Benzoic Acid
IUPAC Name	hydron;benzoate
Canonical SMILES	OC(=O)c1ccccc1
Standard InCHI	InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
Standard InCHIKey	WPYMKLBDIGXBTP-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL541]; PubChem [20144841];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH1939	Combretum indicum	Shi Jun Zi Ren	使君子仁
TCMH1865	Paeonia obovata	Shao Yao	芍药
TCMH810	Paeonia albiflora	Hang Shao	杭芍
TCMH2146	Gynura segetum	Tu San Qi	土三七
TCMH281	Dipsacus asper	Chuan Duan	川断
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH25	Styrax benzoin	An Xi Xiang	安息香
TCMH2381	Daphne genkwa	Yuan Hua Zhi Tiao	芫花枝条
TCMH571	Paeonia suffruticosa	Fen Dan Pi	粉丹皮
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1105	Trollius chinensis	Jin Lian Hua	金莲花
TCMH748	Euonymus alatus	Gui Jian Yu	鬼箭羽
TCMH1051	Piper sarmentosum	Jia 蒟ye	假蒟叶
TCMH2728	Aster tataricus	Zi Wan	紫菀
TCMH2129	Eupolyphaga sinensis	Tu Bie Chong	土鳖虫
TCMH2322	Prunus armeniaca	Xing Ren	杏仁
TCMH1518	Chaenomeles sinensis	Mu Gua	木瓜
TCMH1966	Rehmannia glutinosa	Shu Di Huang	熟地黄
TCMH1798	Morus alba	Sang Zhi	桑枝
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2362	Artemisia lactiflora	Ya Jiao Ai	鸭脚艾
TCMH2356	Daemonorops draco	Xue Xie	血蝎
TCMH202	Bombyx mori	Can Yong	蚕蛹
TCMH1448	Mangifera indica	Mang Guo Ye	芒果叶
TCMH1272	Forsythia suspensa	Lian Qiao	连翘
TCMH2553	Scrophularia ningpoensis	Yuan Shen	元参
TCMH13	Artemisia argyi	Ai Ye You	艾叶油
TCMH1512	Isatis indigotica	Mu Da Qing Ye	木大青叶
TCMH1150	Gynura segetum	Jing Tian San Qi	景天三七
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH258	Paeonia obovata	Chi Shao	赤芍
TCMH75	Bombyx mori	Bai Jiang Can	白僵蚕
TCMH197	Bombyx mori	Can E	蚕蛾
TCMH200	Bombyx mori	Can Jian	蚕茧
TCMH201	Bombyx mori	Can Sha	蚕砂
TCMH1792	Morus alba	Sang Pi	桑皮
TCMH1797	Morus alba	Sang Ye	桑叶
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH1045	Piper sarmentosum	Jia Ju	假蒟
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
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH105	Paeonia lactiflora	Bai Shao Gan Jin Gao	白芍干浸膏
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
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
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
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	五味子醇浸膏
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	五味子浸出物
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	五味子浸膏
TCMH2017	Artemisia lactiflora	Si Ji Cai	四季菜
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
TCMH2343	Scrophularia ningpoensis	Xuan Shen	玄参

Ingredient ID: TCMC7146
Formula: C19H22O6

Common Name	Canavalia Gibberellin Ii
IUPAC Name	(1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-(hydroxymethyl)-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid
Canonical SMILES	OC[C@]12C=CC[C@@]3([C@@H]2[C@H](C(=O)[O-])[C@@]24[C@H]3CC[C@](C4)(C(=C)C2)O)OC1=O
Standard InCHI	InChI=1S/C19H22O6/c1-10-7-17-8-18(10,24)6-3-11(17)19-5-2-4-16(9-20,15(23)25-19)13(19)12(17)14(21)22/h2,4,11-13,20,24H,1,3,5-9H2,(H,21,22)/p-1/t11-,12-,13-,16+,17+,18+,19-/m1/s1
Standard InCHIKey	UPCTWJNMQCQZPT-AODVQFRNSA-M
External Identifiers	ChEMBL [N/A]; PubChem [101603107];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆

Ingredient ID: TCMC7145
Formula: C19H22O7

Common Name	Canavalia Gibberellin I
IUPAC Name	(1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9,11-dicarboxylic acid
Canonical SMILES	[O-]C(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@](C5)(O)CC4)CCC[C@@]2(C(=O)[O-])C(=O)O3
Standard InCHI	InChI=1S/C19H22O7/c1-9-7-16-8-17(9,25)6-3-10(16)19-5-2-4-18(14(22)23,15(24)26-19)12(19)11(16)13(20)21/h10-12,25H,1-8H2,(H,20,21)(H,22,23)/p-2/t10-,11-,12-,16+,17+,18-,19-/m1/s1
Standard InCHIKey	HILUWRPVFKJTAD-ZGHMGGRHSA-L
External Identifiers	ChEMBL [N/A]; PubChem [101603106];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆

Ingredient ID: TCMC7017
Formula: C17H18O6

Common Name	Paeoniflorigenone
IUPAC Name	[(1R,3S,6S,8R,10R)-8-hydroxy-3-methyl-5-oxo-2,9-dioxatricyclo[4.3.1.03,8]decan-10-yl]methyl benzoate
Canonical SMILES	O=C(c1ccccc1)OC[C@@H]1[C@@H]2O[C@@]3([C@](O2)(C[C@@H]1C(=O)C3)O)C
Standard InCHI	InChI=1S/C17H18O6/c1-16-8-13(18)11-7-17(16,20)23-15(22-16)12(11)9-21-14(19)10-5-3-2-4-6-10/h2-6,11-12,15,20H,7-9H2,1H3/t11-,12-,15+,16-,17+/m0/s1
Standard InCHIKey	BANPEMKDTXIFRE-DSCSFJNRSA-N
External Identifiers	ChEMBL [N/A]; PubChem [98051525];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH258	Paeonia obovata	Chi Shao	赤芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆

Ingredient ID: TCMC6767
Formula: C30H32O15

Common Name	Galloylpaeoniflorin
IUPAC Name	[(2R,3S,4S,5R,6S)-6-[[(1R,2S,3S,5S,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Canonical SMILES	O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)COC(=O)c1cc(O)c(c(c1)O)O)O[C@]12C[C@H]3[C@@]2(COC(=O)c2ccccc2)[C@@H]2O[C@@]1(C)C[C@]3(O2)O
Standard InCHI	InChI=1S/C30H32O15/c1-27-11-29(39)18-9-30(27,28(18,26(44-27)45-29)12-41-23(37)13-5-3-2-4-6-13)43-25-22(36)21(35)20(34)17(42-25)10-40-24(38)14-7-15(31)19(33)16(32)8-14/h2-8,17-18,20-22,25-26,31-36,39H,9-12H2,1H3/t17-,18+,20-,21+,22-,25+,26-,27+,28+,29-,30-/m1/s1
Standard InCHIKey	KLFIUQCKSSAFFU-ANNBSXMPSA-N
External Identifiers	ChEMBL [CHEMBL1077642]; PubChem [46882879];
Reference of Component-Ingredient Pair	17225532

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆

Ingredient ID: TCMC6616
Formula: C23H28O11

Common Name	Albiflorin
IUPAC Name	[(1R,3R,4R,6S,9S)-4-hydroxy-6-methyl-8-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@]23C[C@@H]4[C@@]3(COC(=O)c3ccccc3)C(=O)O[C@@]2(C)C[C@H]4O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C23H28O11/c1-21-8-13(25)12-7-23(21,33-19-17(28)16(27)15(26)14(9-24)32-19)22(12,20(30)34-21)10-31-18(29)11-5-3-2-4-6-11/h2-6,12-17,19,24-28H,7-10H2,1H3/t12-,13+,14+,15+,16-,17+,19-,21-,22-,23-/m0/s1
Standard InCHIKey	QQUHMASGPODSIW-ICECTASOSA-N
External Identifiers	ChEMBL [CHEMBL1939883]; PubChem [24868421];
Reference of Component-Ingredient Pair	25423839

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH258	Paeonia obovata	Chi Shao	赤芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆

Ingredient ID: TCMC6479
Formula: C23H28O12

Common Name	Oxypaeoniflorin
IUPAC Name	[(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@]23C[C@@H]4[C@@]3(COC(=O)c3ccc(cc3)O)[C@@H]3O[C@@]2(C)C[C@]4(O3)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C23H28O12/c1-20-8-22(30)13-6-23(20,33-18-16(28)15(27)14(26)12(7-24)32-18)21(13,19(34-20)35-22)9-31-17(29)10-2-4-11(25)5-3-10/h2-5,12-16,18-19,24-28,30H,6-9H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1
Standard InCHIKey	FCHVXNVDFYXLIL-WRJNSLSBSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21631105];
Reference of Component-Ingredient Pair	17225532

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH258	Paeonia obovata	Chi Shao	赤芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆
TCMH1513	Paeonia moutan	Mu Dan Pi	牡丹皮
TCMH2618	Citrus aurantium	Zhi Ke	枳壳

Ingredient ID: TCMC5778
Formula: C20H18O14

Common Name	2,3-O-(S)-Hexahydroxydiphenoyl-D-Glucopyranose
IUPAC Name	(10R,11R,13R,14R,15S)-3,4,5,11,14,20,21,22-octahydroxy-13-(hydroxymethyl)-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaene-8,17-dione
Canonical SMILES	OC[C@H]1O[C@@H](O)[C@H]2[C@H]([C@@H]1O)OC(=O)c1cc(O)c(c(c1c1c(C(=O)O2)cc(O)c(c1O)O)O)O
Standard InCHI	InChI=1S/C20H18O14/c21-3-8-13(26)16-17(20(31)32-8)34-19(30)5-2-7(23)12(25)15(28)10(5)9-4(18(29)33-16)1-6(22)11(24)14(9)27/h1-2,8,13,16-17,20-28,31H,3H2/t8-,13-,16+,17-,20-/m1/s1
Standard InCHIKey	GEAGRKQCZVLNAU-FYHMHJJZSA-N
External Identifiers	ChEMBL [CHEMBL478921]; PubChem [11754973];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆

Ingredient ID: TCMC5667
Formula: C34H28O22

Common Name	1,2,4,6-Tetra-O-Galloyl-Β-D-Glucose
IUPAC Name	[(2R,3S,4S,5R,6S)-4-hydroxy-3,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Canonical SMILES	O[C@H]1[C@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H](COC(=O)c2cc(O)c(c(c2)O)O)O[C@H]([C@@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O
Standard InCHI	InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-28(54-31(49)11-3-16(37)24(44)17(38)4-11)27(47)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27+,28-,29-,34+/m1/s1
Standard InCHIKey	YXZYFHXWEOAXLF-UGAZNADUSA-N
External Identifiers	ChEMBL [CHEMBL449495]; PubChem [11297287];
Reference of Component-Ingredient Pair	22619617

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH258	Paeonia obovata	Chi Shao	赤芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆
TCMH1862	Cornus officinalis	Shan Zhu Yu	山茱萸

Ingredient ID: TCMC5427
Formula: C17H18O6

Common Name	Paeonilactone C
IUPAC Name	[(3S,3aR,6S,7aR)-6-hydroxy-6-methyl-2,5-dioxo-3a,4,7,7a-tetrahydro-3H-1-benzofuran-3-yl]methyl benzoate
Canonical SMILES	O=C1O[C@H]2[C@@H]([C@H]1COC(=O)c1ccccc1)CC(=O)[C@@](C2)(C)O
Standard InCHI	InChI=1S/C17H18O6/c1-17(21)8-13-11(7-14(17)18)12(16(20)23-13)9-22-15(19)10-5-3-2-4-6-10/h2-6,11-13,21H,7-9H2,1H3/t11-,12-,13-,17+/m1/s1
Standard InCHIKey	BDKBBWGLLDEQEV-ZFRZLUBXSA-N
External Identifiers	ChEMBL [N/A]; PubChem [10471123];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆

Ingredient ID: TCMC5375
Formula: C10H12O4

Common Name	Paeonilactone B
IUPAC Name	(3aR,6S,7aR)-6-hydroxy-6-methyl-3-methylidene-3a,4,7,7a-tetrahydro-1-benzofuran-2,5-dione
Canonical SMILES	O=C1O[C@H]2[C@@H](C1=C)CC(=O)[C@@](C2)(C)O
Standard InCHI	InChI=1S/C10H12O4/c1-5-6-3-8(11)10(2,13)4-7(6)14-9(5)12/h6-7,13H,1,3-4H2,2H3/t6-,7-,10+/m1/s1
Standard InCHIKey	GFSTVWDPRTWASK-XSSZXYGBSA-N
External Identifiers	ChEMBL [N/A]; PubChem [10375422];
Reference of Component-Ingredient Pair	28783562

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆

Ingredient ID: TCMC5311
Formula: C10H14O4

Common Name	Paeonilactone A
IUPAC Name	(3R,3aR,6S,7aR)-6-hydroxy-3,6-dimethyl-3a,4,7,7a-tetrahydro-3H-1-benzofuran-2,5-dione
Canonical SMILES	C[C@H]1C(=O)O[C@H]2[C@@H]1CC(=O)[C@@](C2)(C)O
Standard InCHI	InChI=1S/C10H14O4/c1-5-6-3-8(11)10(2,13)4-7(6)14-9(5)12/h5-7,13H,3-4H2,1-2H3/t5-,6-,7-,10+/m1/s1
Standard InCHIKey	NODZICYHUGDVAM-IBNKKVAHSA-N
External Identifiers	ChEMBL [N/A]; PubChem [10081437];
Reference of Component-Ingredient Pair	28783562

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆

Ingredient ID: TCMC5281
Formula: C15H37N5

Common Name	Aminobutyl Canavalmine
IUPAC Name	N'-[4-[3-(4-aminobutylamino)propylamino]butyl]butane-1,4-diamine
Canonical SMILES	[NH3+]CCCC[NH2+]CCC[NH2+]CCCC[NH2+]CCCC[NH3+]
Standard InCHI	InChI=1S/C15H37N5/c16-8-1-3-10-18-12-5-6-13-20-15-7-14-19-11-4-2-9-17/h18-20H,1-17H2/p+5
Standard InCHIKey	ITSJFETYKWFREV-UHFFFAOYSA-S
External Identifiers	ChEMBL [N/A]; PubChem [9994246];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆

Ingredient ID: TCMC5258
Formula: C34H26O22

Common Name	Tellimagrandin I
IUPAC Name	[(10R,11S,12R,13R,15R)-3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-12-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate
Canonical SMILES	O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@H]2[C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)cc(O)c(c3O)O)O)O
Standard InCHI	InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-46,51H,7H2/t18-,27-,28+,29-,34-/m1/s1
Standard InCHIKey	YKDNTEQLKGYZHT-JSAIFSMWSA-N
External Identifiers	ChEMBL [CHEMBL450376]; PubChem [9918701];
Reference of Component-Ingredient Pair	25709710

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆
TCMH486	Syzygium aromaticum	Ding Xiang	丁香

Ingredient ID: TCMC5238
Formula: C22H30O4

Common Name	Palbinone
IUPAC Name	(3S,5R,8R,9R,10S,14S)-3,17-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-15,16-dione
Canonical SMILES	O=C1C(=C2[C@](C1=O)(C)[C@]1(C)CC[C@@H]3[C@]([C@H]1C=C2)(C)CC[C@@H](C3(C)C)O)O
Standard InCHI	InChI=1S/C22H30O4/c1-19(2)13-8-11-21(4)14(20(13,3)10-9-15(19)23)7-6-12-16(24)17(25)18(26)22(12,21)5/h6-7,13-15,23-24H,8-11H2,1-5H3/t13-,14+,15-,20-,21+,22-/m0/s1
Standard InCHIKey	KIAKLFLISZCITK-PPAUHQMUSA-N
External Identifiers	ChEMBL [CHEMBL575924]; PubChem [9841735];
Reference of Component-Ingredient Pair	23595773

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆

Ingredient ID: TCMC5012
Formula: C28H33O16

Common Name	Peonin
IUPAC Name	(2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c([o+]3)c2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C28H33O16/c1-39-16-4-10(2-3-13(16)32)26-17(42-28-25(38)23(36)21(34)19(9-30)44-28)7-12-14(40-26)5-11(31)6-15(12)41-27-24(37)22(35)20(33)18(8-29)43-27/h2-7,18-25,27-38H,8-9H2,1H3/q+1/t18-,19-,20-,21-,22+,23+,24-,25-,27-,28-/m1/s1
Standard InCHIKey	LPZOQGYLXMWWMM-DPOJTEBASA-N
External Identifiers	ChEMBL [N/A]; PubChem [5488811];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆
TCMH2244	Prunella vulgaris	Xia Ku Cao	夏枯草

Ingredient ID: TCMC4900
Formula: C27H24O18

Common Name	1,2,3-Tri-O-Galloyl-Β-D-Glucose
IUPAC Name	[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-4-yl] 3,4,5-trihydroxybenzoate
Canonical SMILES	OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O
Standard InCHI	InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1
Standard InCHIKey	MACFXELYCBWKGT-VFTFQOQOSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5322038];
Reference of Component-Ingredient Pair	28589255

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆
TCMH1862	Cornus officinalis	Shan Zhu Yu	山茱萸

Ingredient ID: TCMC4827
Formula: C34H24O22

Common Name	Pedunculagin
IUPAC Name	(1R,2S,19R,20R,22R)-7,8,9,12,13,14,20,28,29,30,33,34,35-tridecahydroxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaene-4,17,25,38-tetrone
Canonical SMILES	O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@H]2[C@H]2[C@H]1OC(=O)c1cc(O)c(c(c1c1c(C(=O)O2)cc(c(c1O)O)O)O)O)cc(O)c(c3O)O)O)O
Standard InCHI	InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34-/m1/s1
Standard InCHIKey	IYMHVUYNBVWXKH-MMQHQYPESA-N
External Identifiers	ChEMBL [N/A]; PubChem [5320441];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆
TCMH2165	Potentilla chinensis	Wei Ling Cai	委陵菜

Ingredient ID: TCMC4417
Formula: C5H11NO3

Common Name	L-Α-Amino-Δ-Hydroxyvaleric Acid
IUPAC Name	(2S)-2-amino-5-hydroxypentanoic acid
Canonical SMILES	[O-]C(=O)[C@@H]([NH3+])CCCO
Standard InCHI	InChI=1S/C5H11NO3/c6-4(5(8)9)2-1-3-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1
Standard InCHIKey	CZWARROQQFCFJB-BYPYZUCNSA-N
External Identifiers	ChEMBL [CHEMBL495224]; PubChem [5287587];
Reference of Component-Ingredient Pair	22639601

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆

Ingredient ID: TCMC4342
Formula: C22H28O5

Common Name	Pyrethrin Ii
IUPAC Name	[(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Canonical SMILES	C=C/C=CCC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@H](C1(C)C)/C=C(/C(=O)OC)C
Standard InCHI	InChI=1S/C22H28O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-,13-11+/t16-,18+,19+/m1/s1
Standard InCHIKey	VJFUPGQZSXIULQ-XIGJTORUSA-N
External Identifiers	ChEMBL [CHEMBL2270705]; PubChem [5281555];
Reference of Component-Ingredient Pair	28590217

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆

Ingredient ID: TCMC4299
Formula: C21H28O3

Common Name	Pyrethrin I
IUPAC Name	[(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Canonical SMILES	C=C/C=CCC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(C)C
Standard InCHI	InChI=1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-/t16-,18+,19+/m1/s1
Standard InCHIKey	ROVGZAWFACYCSP-VUMXUWRFSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5281045];
Reference of Component-Ingredient Pair	28590217

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆

Ingredient ID: TCMC4208
Formula: C21H34O10

Common Name	Z-1S,5R-Β-Pinen-10-Yl-Β-Vicianoside
IUPAC Name	(2R,3S,4S,5R,6S)-2-[(Z)-(6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene)-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol
Canonical SMILES	CO[C@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)/C(=C/1CCC2CC1C2(C)C)/O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C21H34O10/c1-21(2)8-4-5-9(10(21)6-8)17(30-20-15(26)12(23)11(22)7-29-20)18-14(25)13(24)16(27)19(28-3)31-18/h8,10-16,18-20,22-27H,4-7H2,1-3H3/b17-9-/t8?,10?,11-,12-,13-,14-,15+,16+,18+,19-,20-/m0/s1
Standard InCHIKey	QIJSFUZTJUWHOM-GAHLHGJXSA-N
External Identifiers	ChEMBL [N/A]; PubChem [3036428];
Reference of Component-Ingredient Pair	16508199

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆

Ingredient ID: TCMC3966
Formula: C29H50O

Common Name	Sitosterol,Β-Sitosterol
IUPAC Name	(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES	CC[C@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C
Standard InCHI	InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
Standard InCHIKey	KZJWDPNRJALLNS-FBZNIEFRSA-N
External Identifiers	ChEMBL [CHEMBL221542]; PubChem [457801];
Reference of Component-Ingredient Pair	23115546

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH29	Croton tiglium	Ba Dou Shuang	巴豆霜
TCMH389	Gleditsiae sinensis fructus	Da Zao Jiao	大皂角
TCMH224	Thuja orientalis	Ce Bai Ye	侧柏叶
TCMH381	Isatis indigotica	Da Qing Ye	大青叶
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH287	Clematidis armandii caulis	Chuan Mu Tong	川木通
TCMH407	Salvia miltiorrhiza	Dan Shen	丹参
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH28	Croton tiglium	Ba Dou	巴豆
TCMH305	Cnidium officinale	Chuan Xiong	川芎
TCMH240	Plantago depressa	Che Qian Cao	车前草
TCMH294	Rhizoma dioscoreae nipponicae	Chuan Shan Long	穿山龙
TCMH121	Biota orientalis	Bai Zi Ren	柏子仁
TCMH241	Plantago asiatica	Che Qian Zi	车前子
TCMH524	Eucommia ulmoides	Du Zhong	杜仲
TCMH127	Isatis indigotica	Ban Lan Gen	板蓝根
TCMH562	Saposhnikovia divaricata	Fang Feng	防风
TCMH327	Eleutherococcus senticosus	Ci Wu Jia	刺五加
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH130	Pinellia ternata	Ban Xia	半夏
TCMH370	Herba cirsii japonici	Da Ji(1)	大蓟
TCMH258	Paeonia obovata	Chi Shao	赤芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆
TCMH31	Morinda officinalis	Ba Ji Tian	巴戟天
TCMH385	Sargentodoxa cuneata	Da Xue Teng	大血藤
TCMH273	Fritillaria cirrhosa	Chuan Bei Mu	川贝母
TCMH677	Pueraria lobata	Ge Gen	葛根
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH949	Phellodendron amurense	Huang Bai	黄柏
TCMH1186	Lycium chinense	Gou Qi Zi	枸杞子
TCMH628	Glycyrrhiza uralensis	Gan Cao	甘草
TCMH700	Drynaria fortunei	Gu Sui Bu	骨碎补
TCMH776	Piper kadsura	Hai Feng Teng	海风藤
TCMH819	Polygonum multiflorum	He Shou Wu	何首乌
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH761	Cinnamomum cassia	Gui Zhi	桂枝
TCMH1376	Trachelospermum jasminoides	Luo Shi Teng	络石藤
TCMH865	Carthamus tinctorius	Hong Hua	红花
TCMH981	Astragalus membranaceus	Huang Qi	黄芪
TCMH1368	Apocyni veneti folium	Luo Bu Ma Ye	罗布麻叶
TCMH834	Semen glycine max	Hei Dou	黑豆
TCMH986	Scutellaria baicalensis	Huang Qin	黄芩
TCMH877	Radix ginseng rubra	Hong Shen	红参
TCMH1432	Vitex trifolia	Man Jing Zi	蔓荆子
TCMH1359	Pyrola calliantha	Lu Xian Cao	鹿衔草
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH1698	Semen celosiae	Qing Xiang Zi	青葙子
TCMH1906	Cimicifuga foetida	Sheng Ma	升麻
TCMH1740	Cistanche deserticola	Rou Cong Rong	肉苁蓉
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根
TCMH1617	Eriobotrya japonica thunb	Pi Pa Ye	枇杷叶
TCMH1953	Pyrrosia lingua	Shi Wei	石韦
TCMH1634	Typha angustata	Pu Huang	蒲黄
TCMH1665	Notopterygium incisum	Qiang Huo	羌活
TCMH1845	Dioscorea batatas	Shan Yao	山药
TCMH1768	Panax notoginseng	San Qi	三七
TCMH1680	Sinomenium acutum	Qing Feng Teng	青风藤
TCMH1531	Akebia quinata	Mu Tong	木通
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1797	Morus alba	Sang Ye	桑叶
TCMH1866	Cnidium monnieri	She Chuang Zi	蛇床子
TCMH2090	Gastrodia elata	Tian Ma	天麻
TCMH2094	Arisaema consanguineum	Tian Nan Xing	天南星
TCMH2641	Gardenia jasminoides	Zhi Zi	栀子
TCMH2545	Houttuynia cordata	Yu Xing Cao	鱼腥草
TCMH2252	Agrimonia pilosa var. japonica	Xian He Cao	仙鹤草
TCMH2722	Perilla frutescens var. arguta	Zi Su Ye	紫苏叶
TCMH2343	Scrophularia ningpoensis	Xuan Shen	玄参
TCMH2684	Ardisia crenata	Zhu Sha Gen	朱砂根
TCMH2295	fructus foeniculi	Xiao Hui Xiang	小茴香
TCMH2297	Cirsium setosum	Xiao Ji	小蓟

Ingredient ID: TCMC3961
Formula: C27H24O18

Common Name	1,3,6-Trigalloyl-Β-D-Glucose
IUPAC Name	[(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Canonical SMILES	O[C@@H]1[C@@H](COC(=O)c2cc(O)c(c(c2)O)O)O[C@H]([C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)O)O
Standard InCHI	InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)23(44-25(40)9-3-13(30)19(35)14(31)4-9)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22-,23+,27+/m1/s1
Standard InCHIKey	RNKMOGIPOMVCHO-SJMVAQJGSA-N
External Identifiers	ChEMBL [CHEMBL389895]; PubChem [452707];
Reference of Component-Ingredient Pair	28843594

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆
TCMH826	Terminalia chebula	He Zi	诃子

Ingredient ID: TCMC3934
Formula: C14H16O10

Common Name	3-O-Galloyl Quinic Acid
IUPAC Name	(1S,3R,4R,5R)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid
Canonical SMILES	O[C@@H]1C[C@](O)(C[C@H]([C@@H]1O)OC(=O)c1cc(O)c(c(c1)O)O)C(=O)[O-]
Standard InCHI	InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/p-1/t8-,9-,11-,14+/m1/s1
Standard InCHIKey	LDPLFHGGZNSKDS-FTBFGRRBSA-M
External Identifiers	ChEMBL [CHEMBL3233512]; PubChem [442988];
Reference of Component-Ingredient Pair	21853132

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆

Ingredient ID: TCMC3610
Formula: C23H28O11

Common Name	Albiflorin
IUPAC Name	[4-hydroxy-6-methyl-8-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate
Canonical SMILES	OC[C@H]1O[C@@H](OC23CC4C3(COC(=O)c3ccccc3)C(=O)OC2(C)CC4O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C23H28O11/c1-21-8-13(25)12-7-23(21,33-19-17(28)16(27)15(26)14(9-24)32-19)22(12,20(30)34-21)10-31-18(29)11-5-3-2-4-6-11/h2-6,12-17,19,24-28H,7-10H2,1H3/t12?,13?,14-,15-,16+,17-,19+,21?,22?,23?/m1/s1
Standard InCHIKey	QQUHMASGPODSIW-RPLHGOISSA-N
External Identifiers	ChEMBL [N/A]; PubChem [162355];
Reference of Component-Ingredient Pair	28933095

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆

Ingredient ID: TCMC3524
Formula: C15H30O2

Common Name	13-Methyl Tetradecanoic Acid
IUPAC Name	13-methyltetradecanoic acid
Canonical SMILES	CC(CCCCCCCCCCCC(=O)[O-])C
Standard InCHI	InChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)/p-1
Standard InCHIKey	ZOCYQVNGROEVLU-UHFFFAOYSA-M
External Identifiers	ChEMBL [CHEMBL495851]; PubChem [151014];
Reference of Component-Ingredient Pair	21656813

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆

Ingredient ID: TCMC3497
Formula: C17H18O6

Common Name	Paeoniflorigenone
IUPAC Name	[(1S,3R,6S,8S,10S)-8-hydroxy-3-methyl-5-oxo-2,9-dioxatricyclo[4.3.1.03,8]decan-10-yl]methyl benzoate
Canonical SMILES	O=C(c1ccccc1)OC[C@H]1[C@H]2O[C@]3([C@@](O2)(C[C@@H]1C(=O)C3)O)C
Standard InCHI	InChI=1S/C17H18O6/c1-16-8-13(18)11-7-17(16,20)23-15(22-16)12(11)9-21-14(19)10-5-3-2-4-6-10/h2-6,11-12,15,20H,7-9H2,1H3/t11-,12+,15-,16+,17-/m0/s1
Standard InCHIKey	BANPEMKDTXIFRE-GMKCAIKYSA-N
External Identifiers	ChEMBL [CHEMBL1077668]; PubChem [133475];
Reference of Component-Ingredient Pair	28317437

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆

Ingredient ID: TCMC3368
Formula: C23H28O12

Common Name	Oxypaeoniflorin
IUPAC Name	[(2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@]23C[C@@H]4[C@@]3(COC(=O)c3ccc(cc3)O)C3O[C@@]2(C)C[C@]4(O3)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C23H28O12/c1-20-8-22(30)13-6-23(20,33-18-16(28)15(27)14(26)12(7-24)32-18)21(13,19(34-20)35-22)9-31-17(29)10-2-4-11(25)5-3-10/h2-5,12-16,18-19,24-28,30H,6-9H2,1H3/t12-,13-,14-,15+,16-,18+,19?,20+,21+,22-,23+/m1/s1
Standard InCHIKey	FCHVXNVDFYXLIL-XUKLQFQFSA-N
External Identifiers	ChEMBL [N/A]; PubChem [99650];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH258	Paeonia obovata	Chi Shao	赤芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆

Ingredient ID: TCMC3257
Formula: C41H28O26

Common Name	Casuarictin
IUPAC Name	[(1R,2S,19R,20S,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl] 3,4,5-trihydroxybenzoate
Canonical SMILES	O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@H]2[C@H]2[C@H]1OC(=O)c1cc(O)c(c(c1c1c(C(=O)O2)cc(c(c1O)O)O)O)O)cc(O)c(c3O)O)O)O
Standard InCHI	InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2/t19-,33-,34+,35-,41+/m1/s1
Standard InCHIKey	SWRFKGRMQVLMKA-JIZJWZDPSA-N
External Identifiers	ChEMBL [CHEMBL446979]; PubChem [73644];
Reference of Component-Ingredient Pair	26495653

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆
TCMH486	Syzygium aromaticum	Ding Xiang	丁香

Ingredient ID: TCMC3246
Formula: C23H28O11

Common Name	Paeonioflorin
IUPAC Name	[(1R,2S,3R,5R,6S,8R)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@]23C[C@@H]4[C@@]3(COC(=O)c3ccccc3)[C@@H]3O[C@]2(C)C[C@@]4(O3)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20-,21+,22+,23+/m1/s1
Standard InCHIKey	YKRGDOXKVOZESV-MRPXEQBUSA-N
External Identifiers	ChEMBL [N/A]; PubChem [73358];
Reference of Component-Ingredient Pair	22674837

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH258	Paeonia obovata	Chi Shao	赤芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆

Ingredient ID: TCMC3245
Formula: C27H22O18

Common Name	Strictinin
IUPAC Name	[(10S,11R,12R,13S,15R)-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl] 3,4,5-trihydroxybenzoate
Canonical SMILES	O[C@H]1[C@@H](O[C@H]2[C@H]([C@@H]1O)OC(=O)c1cc(O)c(c(c1c1c(C(=O)OC2)cc(c(c1O)O)O)O)O)OC(=O)c1cc(O)c(c(c1)O)O
Standard InCHI	InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)21(37)23-13(43-27)5-42-25(40)7-3-11(30)17(33)19(35)14(7)15-8(26(41)44-23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-38H,5H2/t13-,21-,22-,23-,27+/m1/s1
Standard InCHIKey	FYIJLTSMNXUNLT-CXQFPWCTSA-N
External Identifiers	ChEMBL [CHEMBL504212]; PubChem [73330];
Reference of Component-Ingredient Pair	28911609

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆
TCMH486	Syzygium aromaticum	Ding Xiang	丁香
TCMH1466	Rosa rugosa	Mei Gui Hua	玫瑰花

Ingredient ID: TCMC3233
Formula: C35H60O6

Common Name	Alexandrin,Daucosterol,Eleutheroside A
IUPAC Name	(2R,3R,4S,5S,6R)-2-[[(8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	CC[C@@H](C(C)C)CC[C@H](C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(C2)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C
Standard InCHI	InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
Standard InCHIKey	NPJICTMALKLTFW-QYDWNGEASA-N
External Identifiers	ChEMBL [N/A]; PubChem [71628];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH58	Typhonium giganteum	Bai Fu Zi	白附子
TCMH287	Clematidis armandii caulis	Chuan Mu Tong	川木通
TCMH407	Salvia miltiorrhiza	Dan Shen	丹参
TCMH206	Fructus xanthii sibirici	Cang Er Zi	苍耳子
TCMH86	Ampelopsis japonica	Bai Lian	白蔹
TCMH327	Eleutherococcus senticosus	Ci Wu Jia	刺五加
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH193	Psoralea corylifolia	Bu Gu Zhi	补骨脂
TCMH430	Canavalia gladiata	Dao Dou	刀豆
TCMH385	Sargentodoxa cuneata	Da Xue Teng	大血藤
TCMH37	Smilax china	Ba Qia	菝葜
TCMH387	Callicarpa macrophylla	Da Ye Zi Zhu	大叶紫珠
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁
TCMH2684	Ardisia crenata	Zhu Sha Gen	朱砂根

Ingredient ID: TCMC3
Formula: C15H14O6

Common Name	(-)-Catechin
IUPAC Name	(2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Canonical SMILES	Oc1cc2O[C@@H](c3ccc(c(c3)O)O)[C@@H](Cc2c(c1)O)O
Standard InCHI	InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m1/s1
Standard InCHIKey	PFTAWBLQPZVEMU-HIFRSBDPSA-N
External Identifiers	ChEMBL [CHEMBL200715]; PubChem [73160];
Reference of Component-Ingredient Pair	22953911

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH924	Zanthoxylum bungeanum	Hua Jiao	花椒
TCMH695	Uncaria rhynchophylla	Gou Teng	钩藤
TCMH1865	Paeonia obovata	Shao Yao	芍药
TCMH810	Paeonia albiflora	Hang Shao	杭芍
TCMH2506	Ginkgo biloba	Yin Xing Ye	银杏叶
TCMH63	Lilium brownii	Bai He Liu Jin Gao	百合流浸膏
TCMH1165	Murraya paniculata	Jiu Li Xiang	九里香
TCMH2134	Smilax glabra	Tu Fu Ling	土茯苓
TCMH568	Euphorbia hirta	Fei Yang Cao	飞杨草
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
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH561	Senegalia catechu	Fang Er Cha	方儿茶
TCMH2218	Rubia cordifolia	Qian Cao Teng	茜草藤
TCMH571	Paeonia suffruticosa	Fen Dan Pi	粉丹皮
TCMH748	Euonymus alatus	Gui Jian Yu	鬼箭羽
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH409	Salvia miltiorrhiza	Dan Shen Jin Gao	丹参浸膏
TCMH215	Alpinia katsumadai	Cao Dou Kou Ren	草豆蔻仁
TCMH2462	Crataegus pinnatifida	Ye Shan Zha	野山楂
TCMH1299	Ganoderma lucidum	Ling Zhi(1)	灵芝
TCMH1322	Solanum nigrum	Long Kui	龙葵
TCMH1446	Vaccinium oxycoccos	Man Yue Mei	蔓越莓
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH2232	Scutellaria amoena	Xi Nan Huang Qin	西南黄芩
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
TCMH255	Vigna angularis	Chi Dou	赤豆
TCMH37	Smilax china	Ba Qia	菝葜
TCMH1518	Chaenomeles sinensis	Mu Gua	木瓜
TCMH1033	Centella asiatica	Ji Xue Cao	积雪草
TCMH1117	Rhizoma fagopyri cymosi	Jin Qiao Mai	金荞麦
TCMH2056	Cynomorium songaricum	Suo Yang	锁阳
TCMH1090	Brassica juncea	Jie Zi	芥子
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH1135	Rosa laevigata	Jin Ying Zi Ti Qu Ye	金樱子提取液
TCMH1367	Apocynum venetum	Luo Bu Ma	罗布麻
TCMH1741	Myristica fragrans	Rou Dou Kou	肉豆蔻
TCMH2135	Glycyrrhiza uralensis	Tu Gan Cao	土甘草
TCMH1965	Rheum palmatum	Shu Da Huang	熟大黄
TCMH358	Areca catechu	Da Fu Zi	大腹子
TCMH79	Sinapis alba	Bai Jie Zi	白芥子
TCMH214	Alpinia katsumadai	Cao Dou Kou	草豆蔻
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
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
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
TCMH1296	Ganoderma lucidum	Ling Zhi Jin Gao	灵芝浸膏
TCMH462	Sanguisorba officinalis	Di Yu	地榆
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH61	Ginkgo biloba	Bai Guo Ren	白果仁
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH105	Paeonia lactiflora	Bai Shao Gan Jin Gao	白芍干浸膏
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
TCMH407	Salvia miltiorrhiza	Dan Shen	丹参
TCMH408	Salvia miltiorrhiza	Dan Shen Gan Jin Gao	丹参干浸膏
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
TCMH1856	Gardenia jasminoides	Shan Zhi	山栀
TCMH2641	Gardenia jasminoides	Zhi Zi	栀子

Ingredient ID: TCMC2834
Formula: C7H6O2

Common Name	Benzoic Acid
IUPAC Name	benzoic acid
Canonical SMILES	[O-]C(=O)c1ccccc1
Standard InCHI	InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
Standard InCHIKey	WPYMKLBDIGXBTP-UHFFFAOYSA-M
External Identifiers	ChEMBL [CHEMBL541]; PubChem [243];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH25	Styrax benzoin	An Xi Xiang	安息香
TCMH240	Plantago depressa	Che Qian Cao	车前草
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH258	Paeonia obovata	Chi Shao	赤芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆
TCMH2697	Rhizoma panacis majoris	Zhu Zi Shen	珠子参

Ingredient ID: TCMC1826
Formula: C9H10O3

Common Name	Paeonol
IUPAC Name	1-(2-hydroxy-4-methoxyphenyl)ethanone
Canonical SMILES	COc1ccc(c(c1)O)C(=O)C
Standard InCHI	InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3
Standard InCHIKey	UILPJVPSNHJFIK-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1079227]; PubChem [11092];
Reference of Component-Ingredient Pair	21201807

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2333	Cynanchum paniculatum	Xu Chang Qing	徐长卿
TCMH1865	Paeonia obovata	Shao Yao	芍药
TCMH810	Paeonia albiflora	Hang Shao	杭芍
TCMH2506	Ginkgo biloba	Yin Xing Ye	银杏叶
TCMH865	Carthamus tinctorius	Hong Hua	红花
TCMH1513	Paeonia moutan	Mu Dan Pi	牡丹皮
TCMH1923	Acorus tatarinowii	Shi Chang Pu Qing Gao	石菖蒲清膏
TCMH571	Paeonia suffruticosa	Fen Dan Pi	粉丹皮
TCMH2706	Lithospermum erythrorhizon	Zi Cao	紫草
TCMH1409	Cannabis sativa	Ma Ren	麻仁
TCMH1469	Flos mume	Mei Hua	梅花
TCMH1894	Pinellia ternata	Sheng Ban Xia	生半夏
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH2239	Asarum sieboldii	Xi Xin	细辛
TCMH1798	Morus alba	Sang Zhi	桑枝
TCMH447	Illicium difengpi	Di Feng Pi	地枫皮
TCMH1531	Akebia quinata	Mu Tong	木通
TCMH114	Platycladus orientalis	Bai Ye	柏叶
TCMH2267	Periploca sepium	Xiang Jia Pi	香加皮
TCMH2315	Arnebia euchroma	Xin Jiang Zi Cao	新疆紫草
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
TCMH258	Paeonia obovata	Chi Shao	赤芍
TCMH1792	Morus alba	Sang Pi	桑皮
TCMH1797	Morus alba	Sang Ye	桑叶
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH61	Ginkgo biloba	Bai Guo Ren	白果仁
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH105	Paeonia lactiflora	Bai Shao Gan Jin Gao	白芍干浸膏
TCMH1005	Cannabis sativa	Huo Ma Ren	火麻仁
TCMH1920	Acorus tatarinowii	Shi Chang Pu	石菖蒲
TCMH1922	Acorus tatarinowii	Shi Chang Pu Jin Gao	石菖蒲浸膏

Ingredient ID: TCMC1825
Formula: C23H28O11

Common Name	Paeoniflorin
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](O[C@]23C[C@H]4[C@@]3(COC(=O)c3ccccc3)[C@@H]3O[C@@]2(C)C[C@]4(O3)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13+,14-,15+,16-,18+,19-,20+,21+,22-,23-/m1/s1
Standard InCHIKey	YKRGDOXKVOZESV-QYDSDWLYSA-N
External Identifiers	ChEMBL [CHEMBL1078549]; PubChem [46882877];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH810	Paeonia albiflora	Hang Shao	杭芍
TCMH571	Paeonia suffruticosa	Fen Dan Pi	粉丹皮
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH105	Paeonia lactiflora	Bai Shao Gan Jin Gao	白芍干浸膏

Ingredient ID: TCMC1624
Formula: C34H24O22

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O[C@@H]1COC(=O)c2cc(O)c(c(c2c2c(C(=O)O[C@H]1[C@@H]1OC(=O)c3cc(O)c(c(c3c3c4C(=O)O[C@H]1[C@@H](O)c4c(O)c(c3O)O)O)O)cc(O)c(c2O)O)O)O
Standard InCHI	InChI=1S/C34H24O22/c35-8-1-5-12(21(42)18(8)39)13-6(2-9(36)19(40)22(13)43)32(50)54-28(11(38)4-53-31(5)49)30-29-26(47)17-16(34(52)55-29)15(24(45)27(48)25(17)46)14-7(33(51)56-30)3-10(37)20(41)23(14)44/h1-3,11,26,28-30,35-48H,4H2/t11-,26+,28-,29+,30+/m1/s1
Standard InCHIKey	CHBITXAMNKHJCR-VGYCLGPVSA-N
External Identifiers	ChEMBL [CHEMBL488110]; PubChem [10417809];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1939	Combretum indicum	Shi Jun Zi Ren	使君子仁
TCMH810	Paeonia albiflora	Hang Shao	杭芍
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH1121	Cardiospermum halicacabum	Jin Si Ku Lian	金丝苦楝
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
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH105	Paeonia lactiflora	Bai Shao Gan Jin Gao	白芍干浸膏

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC3	C15H14O6	(-)-Catechin	290.08	-2.494	2.45	0.406	1	5	110.38	6	3	21	0
TCMC90	C15H14O7	(2S,3S)-2-(3,4,5-Trihydroxy-Phenyl)-Chroman-3,5,7-Triol	306.07	-2.9543	2.34	-0.128	1	6	130.61	7	3	22	1
TCMC770	C7H6O2	Benzoic Acid	122.04	-0.2398	2.01	2.666	2	1	37.3	2	1	9	0
TCMC876	C34H24O22	Casuariin	784.08	-7.049	2.78	-2.756	10	14	388.42	15	6	56	1
TCMC913	C15H14O6	Cianidanol	290.08	-2.494	2.45	0.406	1	5	110.38	6	3	21	0
TCMC1624	C34H24O22		784.08	-7.049	2.78	-2.756	10	14	388.42	15	6	56	1
TCMC1825	C23H28O11	Paeoniflorin	480.16	-3.3912	2.78	1.22	11	5	164.37	13	5	34	1
TCMC1826	C9H10O3	Paeonol	166.06	-0.766	2.12	1.32	1	1	46.53	5	1	12	0
TCMC2834	C7H6O2	Benzoic Acid	121.0289544	-0.9176	2.01	2.185	2	0	40.13	1	1	9	0
TCMC3233	C35H60O6	Alexandrin,Daucosterol,Eleutheroside A	576.4389896	-0.4469	4.65	10.487	6	4	99.38	9	5	41	1
TCMC3245	C27H22O18	Strictinin	634.0806139	-5.5485	2.45	-1.35	9	11	310.66	3	5	45	1
TCMC3246	C23H28O11	Paeonioflorin	480.1631617	-3.3912	2.78	1.22	11	5	164.37	7	5	34	1
TCMC3257	C41H28O26	Casuarictin	936.086881	-7.5719	3.11	-0.967	11	15	444.18	3	8	67	2
TCMC3368	C23H28O12	Oxypaeoniflorin	496.1580763	-3.8515	2.67	-0.376	11	6	184.6	7	5	35	2
TCMC3497	C17H18O6	Paeoniflorigenone	318.1103383	-0.9654	2.67	2.159	6	1	82.06	4	4	23	0
TCMC3524	C15H30O2	13-Methyl Tetradecanoic Acid	241.2167552	-2.6463	2.89	6.459	2	0	40.13	12	0	17	2
TCMC3610	C23H28O11	Albiflorin	480.1631617	-3.3767	2.78	0.81	11	5	172.21	7	4	34	1
TCMC3934	C14H16O10	3-O-Galloyl Quinic Acid	343.0665217	-3.6954	1.9	-2.067	7	6	187.81	4	2	24	1
TCMC3961	C27H24O18	1,3,6-Trigalloyl-Β-D-Glucose	636.0962639	-5.5485	2.45	-0.947	9	11	310.66	10	4	45	1
TCMC3966	C29H50O	Sitosterol,Β-Sitosterol	414.3861662	1.3	4.54	11.595	1	1	20.23	6	4	30	1
TCMC4208	C21H34O10	Z-1S,5R-Β-Pinen-10-Yl-Β-Vicianoside	446.2151973	-2.6697	2.67	0.415	10	6	158.3	4	3	31	1
TCMC4299	C21H28O3	Pyrethrin I	328.2038448	4.0394	3.44	4.408	3	0	43.37	7	2	24	0
TCMC4342	C22H28O5	Pyrethrin Ii	372.193674	3.4086	3.33	3.274	5	0	69.67	9	2	27	0
TCMC4417	C5H11NO3	L-Α-Amino-Δ-Hydroxyvaleric Acid	133.0738932	-3.5433	1.57	-1.021	3	2	88	4	0	9	0
TCMC4827	C34H24O22	Pedunculagin	784.0759224	-6.5602	2.78	-1.789	10	13	377.42	0	7	56	1
TCMC4900	C27H24O18	1,2,3-Tri-O-Galloyl-Β-D-Glucose	636.0962639	-5.5485	2.45	-0.518	9	11	310.66	10	4	45	1
TCMC5012	C28H33O16	Peonin	625.17686	-5.5016	2.78	-0.632	10	10	248.45	8	5	44	1
TCMC5238	C22H30O4	Palbinone	358.2144094	0.8294	3.44	4.827	4	2	74.6	0	4	26	0
TCMC5258	C34H26O22	Tellimagrandin I	786.0915725	-6.5602	2.78	-0.957	10	13	377.42	6	6	56	1
TCMC5281	C15H37N5	Aminobutyl Canavalmine	292.3440213	-9.1427	2.56	1.41	0	5	105.11	17	0	20	1
TCMC5311	C10H14O4	Paeonilactone A	198.0892089	-0.4319	2.12	-0.019	4	1	63.6	0	2	14	0
TCMC5375	C10H12O4	Paeonilactone B	196.0735589	-0.2148	2.12	-0.201	4	1	63.6	0	2	14	0
TCMC5427	C17H18O6	Paeonilactone C	318.1103383	-0.9509	2.67	2.335	6	1	89.9	4	3	23	0
TCMC5667	C34H28O22	1,2,4,6-Tetra-O-Galloyl-Β-D-Glucose	788.1072225	-6.5602	2.78	-0.125	10	13	377.42	13	5	56	2
TCMC5778	C20H18O14	2,3-O-(S)-Hexahydroxydiphenoyl-D-Glucopyranose	482.0696553	-4.5368	2.12	-2.172	8	9	243.9	1	4	34	1
TCMC6479	C23H28O12	Oxypaeoniflorin	496.1580763	-3.8515	2.67	-0.376	11	6	184.6	7	5	35	2
TCMC6616	C23H28O11	Albiflorin	480.1631617	-3.3767	2.78	0.81	11	5	172.21	7	4	34	1
TCMC6767	C30H32O15	Galloylpaeoniflorin	632.1741203	-4.4029	3.11	1.613	12	7	231.13	10	6	45	2
TCMC7017	C17H18O6	Paeoniflorigenone	318.1103383	-0.9654	2.67	2.159	6	1	82.06	4	4	23	0
TCMC7145	C19H22O7	Canavalia Gibberellin I	360.120903	-2.1754	2.78	-0.858	7	1	126.79	2	5	26	0
TCMC7146	C19H22O6	Canavalia Gibberellin Ii	345.1338134	-1.2063	2.89	-0.355	6	2	106.89	2	5	25	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: Paeonia lactiflora 白芍

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: TCMC913

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC90

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC876

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC770

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7146

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7145

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7017

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6767

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6616

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6479

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5778

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5667

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5427

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5375

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5311

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5281

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5258

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5238

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5012

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4900

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4827

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4417

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4342

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4299

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4208

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3966

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3961

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3934

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3610

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3524