Component ID |
TCMH1343 |
Latin Name |
Aloe vera |
English Name |
Kulaso aloe dried juice |
Chinese Pinyin Name |
Lu Hui |
中文名 |
芦荟 |
TCM Properties |
Cold,Bitter |
TCM Meridians |
Large Intestine,Stomach,Liver |
Therapeutic Class English |
Purging |
Therapeutic Class Chinese |
泻下 |
Functions |
purge feces, clear heat in the liver, kill worms |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Guangdong Province,Hong Kong,Macao |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAO4714-14 |
Barcode Source |
BOLDSYSTEMS |
Prescription ID | Prescription English Name | Prescription Chinese Name |
---|---|---|
TCMF1071 | Kang Fu Xiao Yan Suppository | 康妇消炎栓 |
TCMF11 | Bian Tong Tablets | 便通片 |
TCMF2024 | Budai Pill | 布袋丸 |
TCMF2326 | Danggui Longhui Pills, Angelica Gentiana Aloe Pill | 当归龙荟丸 |
TCMF3054 | Dang Gui Lu Hui Tablets | 当归龙荟片 |
TCMF3966 | Er Long Tong Qiao Pills | 耳聋通窍丸 |
TCMF4643 | Long Hui Pills | 龙荟丸 |
TCMF4901 | Kang Fu Xiao Yan Shuan | 康妇消炎栓 |
TCMF5217 | She Xiang San Miao Ointment | 麝香三妙膏 |
TCMF5898 | Tong Qiao Er Long Pills | 通窍耳聋丸 |
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 |
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 |
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 |
TCMT1109 | Reverse transcriptase |
TCMT1121 | Sialidase |
TCMT1136 | Neuraminidase |
TCMT1175 | Human immunodeficiency virus |
Ingredient ID: TCMC999
Formula: C10H20O2
Common Name | Decanoic Acid |
IUPAC Name | decanoic acid |
Canonical SMILES | CCCCCCCCCC(=O)O |
Standard InCHI | InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12) |
Standard InCHIKey | GHVNFZFCNZKVNT-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL107498]; PubChem [2969]; |
Reference of Component-Ingredient Pair | 29968805 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1469 | Flos mume | Mei Hua | 梅花 |
TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
Ingredient ID: TCMC994
Formula: C4H7NO4
Common Name | D-Aspartate |
IUPAC Name | (2R)-2-aminobutanedioic acid |
Canonical SMILES | OC(=O)C[C@H](C(=O)O)N |
Standard InCHI | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1 |
Standard InCHIKey | CKLJMWTZIZZHCS-UWTATZPHSA-N |
External Identifiers | ChEMBL [CHEMBL29757]; PubChem [83887]; |
Reference of Component-Ingredient Pair | 22466305 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Ingredient ID: TCMC985
Formula: C3H7NO2
Common Name | D-Alanine |
IUPAC Name | (2R)-2-azaniumylpropanoate |
Canonical SMILES | C[C@H](C(=O)O)N |
Standard InCHI | InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1 |
Standard InCHIKey | QNAYBMKLOCPYGJ-UWTATZPHSA-N |
External Identifiers | ChEMBL [CHEMBL66693]; PubChem [7311725]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH197 | Bombyx mori | Can E | 蚕蛾 |
Ingredient ID: TCMC96
Formula: C6H10O7
Common Name | (2S,3S,4R,5R)-3,4,5,6-Tetrahydroxyoxane-2-Carboxylic Acid |
IUPAC Name | (2S,3S,4R,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid |
Canonical SMILES | OC1O[C@H](C(=O)O)[C@H]([C@H]([C@H]1O)O)O |
Standard InCHI | InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3-,4+,6?/m1/s1 |
Standard InCHIKey | AEMOLEFTQBMNLQ-PKKLWIBTSA-N |
External Identifiers | ChEMBL [CHEMBL2068684]; PubChem [6602103]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1721 | Panax ginseng | Ren Shen | 人参 |
TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
TCMH1839 | Panax ginseng | Shan Shen | 山参 |
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 |
TCMH985 | Astragalus membranaceus | Huang Qi Ti Qu Ye | 黄芪提取液 |
Ingredient ID: TCMC954
Formula: C4H6O
Common Name | Crotonaldehyde |
IUPAC Name | (E)-but-2-enal |
Canonical SMILES | C/C=C/C=O |
Standard InCHI | InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ |
Standard InCHIKey | MLUCVPSAIODCQM-NSCUHMNNSA-N |
External Identifiers | ChEMBL [CHEMBL1086445]; PubChem [447466]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1495 | Gossypium herbaceum | Mian Hua Gen | 棉花根 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
TCMH74 | Patrinia villosa | Bai Jiang | 败酱 |
TCMH892 | Hericium erinaceus | Hou Tou Jun | 猴头菌 |
TCMH924 | Zanthoxylum bungeanum | Hua Jiao | 花椒 |
Ingredient ID: TCMC948
Formula: C9H8O3
Common Name | Coumaric Acid |
IUPAC Name | (E)-3-(4-hydroxyphenyl)prop-2-enoic acid |
Canonical SMILES | OC(=O)/C=C/c1ccc(cc1)O |
Standard InCHI | InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ |
Standard InCHIKey | NGSWKAQJJWESNS-ZZXKWVIFSA-N |
External Identifiers | ChEMBL [CHEMBL66879]; PubChem [637542]; |
Reference of Component-Ingredient Pair | 23800587 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
Ingredient ID: TCMC916
Formula: C9H8O2
Common Name | Cinnamic Acid |
IUPAC Name | (E)-3-phenylprop-2-enoic acid |
Canonical SMILES | OC(=O)/C=C/c1ccccc1 |
Standard InCHI | InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+ |
Standard InCHIKey | WBYWAXJHAXSJNI-VOTSOKGWSA-N |
External Identifiers | ChEMBL [CHEMBL27246]; PubChem [444539]; |
Reference of Component-Ingredient Pair | 16497524 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
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 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
TCMH105 | Paeonia lactiflora | Bai Shao Gan Jin Gao | 白芍干浸膏 |
TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
Ingredient ID: TCMC912
Formula: C15H10O4
Common Name | Chrysophanol |
IUPAC Name | 1,8-dihydroxy-3-methylanthracene-9,10-dione |
Canonical SMILES | Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1 |
Standard InCHI | InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3 |
Standard InCHIKey | LQGUBLBATBMXHT-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL41092]; PubChem [10208]; |
Reference of Component-Ingredient Pair | 29045746 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
TCMH1589 | Rumex patientia | Niu Xi Xi | 牛西西 |
TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
TCMH182 | Areca catechu | Bing Lang | 槟榔 |
Ingredient ID: TCMC897
Formula: C16H18O9
Common Name | Chlorogenic Acid |
IUPAC Name | (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
Canonical SMILES | O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
Standard InCHIKey | CWVRJTMFETXNAD-JUHZACGLSA-N |
External Identifiers | ChEMBL [CHEMBL284616]; PubChem [1794427]; |
Reference of Component-Ingredient Pair | 29136249 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
TCMH1025 | Loropetalum chinense | Ji Mu Ye Jin Gao | 继木叶浸膏 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Ingredient ID: TCMC886
Formula: C18H38O
Common Name | Cetostearyl Alcohol |
IUPAC Name | octadecan-1-ol |
Canonical SMILES | CCCCCCCCCCCCCCCCCCO |
Standard InCHI | InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3 |
Standard InCHIKey | GLDOVTGHNKAZLK-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL24640]; PubChem [8221]; |
Reference of Component-Ingredient Pair | 22639192 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1139 | Radix euphorbiae pekinensis | Jing Da Ji | 京大戟 |
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
TCMH1721 | Panax ginseng | Ren Shen | 人参 |
TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1839 | Panax ginseng | Shan Shen | 山参 |
Ingredient ID: TCMC880
Formula: C6H6O2
Common Name | Catechol |
IUPAC Name | benzene-1,2-diol |
Canonical SMILES | Oc1ccccc1O |
Standard InCHI | InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H |
Standard InCHIKey | YCIMNLLNPGFGHC-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL280998]; PubChem [289]; |
Reference of Component-Ingredient Pair | 23122078 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
TCMH1305 | Laggera alata | Liu Ling Ju | 六棱菊 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
TCMH1598 | Nelumbo nucifera | Ou | 藕 |
TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Ingredient ID: TCMC878
Formula: C15H14O6
Common Name | Catechin |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
Canonical SMILES | Oc1cc2OC(c3ccc(c(c3)O)O)C(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 |
Standard InCHIKey | PFTAWBLQPZVEMU-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL206452]; PubChem [1203]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
Ingredient ID: TCMC857
Formula: C10H16O
Common Name | Camphor |
IUPAC Name | (1R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one |
Canonical SMILES | O=C1C[C@@H]2C([C@@]1(C)CC2)(C)C |
Standard InCHI | InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1 |
Standard InCHIKey | DSSYKIVIOFKYAU-XCBNKYQSSA-N |
External Identifiers | ChEMBL [CHEMBL504760]; PubChem [159055]; |
Reference of Component-Ingredient Pair | 21162008 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
Ingredient ID: TCMC847
Formula: C9H8O4
Common Name | Caffeic Acid |
IUPAC Name | (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid |
Canonical SMILES | OC(=O)/C=C/c1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ |
Standard InCHIKey | QAIPRVGONGVQAS-DUXPYHPUSA-N |
External Identifiers | ChEMBL [CHEMBL145]; PubChem [689043]; |
Reference of Component-Ingredient Pair | 25130191 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Ingredient ID: TCMC839
Formula: C4H8O
Common Name | Butanone |
IUPAC Name | butan-2-one |
Canonical SMILES | CCC(=O)C |
Standard InCHI | InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3 |
Standard InCHIKey | ZWEHNKRNPOVVGH-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL15849]; PubChem [6569]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC838
Formula: C4H10O
Common Name | Butanol |
IUPAC Name | butan-2-ol |
Canonical SMILES | CCC(O)C |
Standard InCHI | InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3 |
Standard InCHIKey | BTANRVKWQNVYAZ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL45462]; PubChem [6568]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Ingredient ID: TCMC836
Formula: C4H6O2
Common Name | Butanedione |
IUPAC Name | butane-2,3-dione |
Canonical SMILES | CC(=O)C(=O)C |
Standard InCHI | InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3 |
Standard InCHIKey | QSJXEFYPDANLFS-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL365809]; PubChem [650]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1495 | Gossypium herbaceum | Mian Hua Gen | 棉花根 |
TCMH1667 | Fagopyrum esculentum | Qiao Mai | 荞麦 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH2129 | Eupolyphaga sinensis | Tu Bie Chong | 土鳖虫 |
TCMH2191 | Prunus mume | Wu Mei | 乌梅 |
TCMH2192 | Prunus mume | Wu Mei Rou | 乌梅肉 |
TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
Ingredient ID: TCMC834
Formula: C4H8O
Common Name | Butanal |
IUPAC Name | butanal |
Canonical SMILES | CCCC=O |
Standard InCHI | InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3 |
Standard InCHIKey | ZTQSAGDEMFDKMZ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1478334]; PubChem [261]; |
Reference of Component-Ingredient Pair | 25014914 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
TCMH197 | Bombyx mori | Can E | 蚕蛾 |
TCMH200 | Bombyx mori | Can Jian | 蚕茧 |
TCMH201 | Bombyx mori | Can Sha | 蚕砂 |
TCMH202 | Bombyx mori | Can Yong | 蚕蛹 |
TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
TCMH305 | Cnidium officinale | Chuan Xiong | 川芎 |
TCMH307 | Cnidium officinale | Chuan Xiong Jin Gao | 川芎浸膏 |
Ingredient ID: TCMC83
Formula: C8H8O3
Common Name | (2S)-2-Hydroxy-2-Phenylacetic Acid |
IUPAC Name | (2S)-2-hydroxy-2-phenylacetic acid |
Canonical SMILES | O[C@@H](c1ccccc1)C(=O)O |
Standard InCHI | InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1 |
Standard InCHIKey | IWYDHOAUDWTVEP-ZETCQYMHSA-N |
External Identifiers | ChEMBL [CHEMBL58910]; PubChem [439616]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Ingredient ID: TCMC801
Formula: C29H50O
Common Name | Beta-Sitosterol |
IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-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-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-VJSFXXLFSA-N |
External Identifiers | ChEMBL [CHEMBL221542]; PubChem [222284]; |
Reference of Component-Ingredient Pair | 24130033 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
TCMH1017 | Oxytropis myriophylla | Ji Dou | 棘豆 |
TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
Ingredient ID: TCMC774
Formula: C7H8O
Common Name | Benzyl Alcohol |
IUPAC Name | phenylmethanol |
Canonical SMILES | OCc1ccccc1 |
Standard InCHI | InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 |
Standard InCHIKey | WVDDGKGOMKODPV-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL720]; PubChem [244]; |
Reference of Component-Ingredient Pair | 22999809 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
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 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
TCMH105 | Paeonia lactiflora | Bai Shao Gan Jin Gao | 白芍干浸膏 |
TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1150 | Gynura segetum | Jing Tian San Qi | 景天三七 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
Ingredient ID: TCMC761
Formula: C7H6O
Common Name | Benzaldehyde |
IUPAC Name | benzaldehyde |
Canonical SMILES | O=Cc1ccccc1 |
Standard InCHI | InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H |
Standard InCHIKey | HUMNYLRZRPPJDN-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL15972]; PubChem [240]; |
Reference of Component-Ingredient Pair | 23043335 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Ingredient ID: TCMC759
Formula: C22H44O2
Common Name | Behenic Acid |
IUPAC Name | docosanoic acid |
Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)O |
Standard InCHI | InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24) |
Standard InCHIKey | UKMSUNONTOPOIO-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1173474]; PubChem [8215]; |
Reference of Component-Ingredient Pair | 29968805 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
TCMH1239 | Raphanus sativus | Lai Fu | 莱菔 |
TCMH1240 | Raphanus sativus | Lai Fu Zi | 莱菔子 |
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 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH110 | Cynanchum atratum | Bai Wei | 白薇 |
TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1498 | Ranunculus ternatus | Mao Zhao Cao | 猫爪草 |
TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
TCMH1539 | Cucurbita moschata | Nan Gua | 南瓜 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH2056 | Cynomorium songaricum | Suo Yang | 锁阳 |
TCMH2360 | Brucea javanica | Ya Dan Zi | 鸦胆子 |
Ingredient ID: TCMC734
Formula: C4H7NO4
Common Name | Aspartic Acid |
IUPAC Name | (2S)-2-aminobutanedioic acid |
Canonical SMILES | OC(=O)C[C@@H](C(=O)O)N |
Standard InCHI | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 |
Standard InCHIKey | CKLJMWTZIZZHCS-REOHCLBHSA-N |
External Identifiers | ChEMBL [CHEMBL274323]; PubChem [5960]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
Ingredient ID: TCMC731
Formula: C6H8O6
Common Name | Ascorbate |
IUPAC Name | (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one |
Canonical SMILES | OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O |
Standard InCHI | InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 |
Standard InCHIKey | CIWBSHSKHKDKBQ-JLAZNSOCSA-N |
External Identifiers | ChEMBL [CHEMBL196]; PubChem [54670067]; |
Reference of Component-Ingredient Pair | 27019979 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1792 | Morus alba | Sang Pi | 桑皮 |
TCMH1797 | Morus alba | Sang Ye | 桑叶 |
TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
Ingredient ID: TCMC710
Formula: C15H10O5
Common Name | Apigenin |
IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
Canonical SMILES | Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O |
Standard InCHI | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H |
Standard InCHIKey | KZNIFHPLKGYRTM-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL28]; PubChem [5280443]; |
Reference of Component-Ingredient Pair | 29162470 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1059 | Glycine max | Jiang | 姜 |
TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Ingredient ID: TCMC706
Formula: C14H8O2
Common Name | Anthraquinone |
IUPAC Name | anthracene-9,10-dione |
Canonical SMILES | O=C1c2ccccc2C(=O)c2c1cccc2 |
Standard InCHI | InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H |
Standard InCHIKey | RZVHIXYEVGDQDX-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL55659]; PubChem [6780]; |
Reference of Component-Ingredient Pair | 23122067 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
TCMH1706 | Dianthus superbus | Qu Mai | 瞿麦 |
TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
TCMH363 | Rheum officinale | Da Huang | 大黄 |
TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
TCMH921 | Polygonum cuspidatum | Hu Zhang | 虎杖 |
Ingredient ID: TCMC6919
Formula: C21H22O10
Common Name | 5-Hydroxyaloin A |
IUPAC Name | 1,5,8-trihydroxy-3-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one |
Canonical SMILES | OCc1cc(O)c2c(c1)C(C1OC(CO)C(C(C1O)O)O)c1c(C2=O)c(O)ccc1O |
Standard InCHI | InChI=1S/C21H22O10/c22-5-7-3-8-13(11(26)4-7)18(28)16-10(25)2-1-9(24)15(16)14(8)21-20(30)19(29)17(27)12(6-23)31-21/h1-4,12,14,17,19-27,29-30H,5-6H2 |
Standard InCHIKey | LJCDCYLYUCZUGL-UHFFFAOYSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [73157760]; |
Reference of Component-Ingredient Pair | 7617769 |
Ingredient ID: TCMC69
Formula: C4H6O5
Common Name | (2R)-2-Hydroxybutanedioic Acid |
IUPAC Name | (2R)-2-hydroxybutanedioic acid |
Canonical SMILES | OC(=O)C[C@H](C(=O)O)O |
Standard InCHI | InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1 |
Standard InCHIKey | BJEPYKJPYRNKOW-UWTATZPHSA-N |
External Identifiers | ChEMBL [CHEMBL225986]; PubChem [92824]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
TCMH1661 | Rhizoma homalomenae occultae | Qian Nian Jian | 千年健 |
Ingredient ID: TCMC666
Formula: C27H32O13
Common Name | Aloinoside B |
IUPAC Name | (10R)-1,8-dihydroxy-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-10H-anthracen-9-one |
Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)[C@H]1c2cc(CO[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)cc(c2C(=O)c2c1cccc2O)O |
Standard InCHI | InChI=1S/C27H32O13/c1-9-19(31)22(34)25(37)27(39-9)38-8-10-5-12-16(26-24(36)23(35)20(32)15(7-28)40-26)11-3-2-4-13(29)17(11)21(33)18(12)14(30)6-10/h2-6,9,15-16,19-20,22-32,34-37H,7-8H2,1H3/t9-,15+,16+,19-,20+,22+,23-,24+,25+,26-,27+/m0/s1 |
Standard InCHIKey | BUPDVJFRVYWYEV-SGAFVUFDSA-N |
External Identifiers | ChEMBL [CHEMBL3617996]; PubChem [46173998]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC665
Formula: C21H22O9
Common Name | Aloin B |
IUPAC Name | (10R)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one |
Canonical SMILES | OCc1cc(O)c2c(c1)[C@H]([C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1c(C2=O)c(O)ccc1 |
Standard InCHI | InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14-,17-,19+,20-,21+/m1/s1 |
Standard InCHIKey | AFHJQYHRLPMKHU-WEZNYRQKSA-N |
External Identifiers | ChEMBL [CHEMBL3617994]; PubChem [14989]; |
Reference of Component-Ingredient Pair | 29242133 |
Ingredient ID: TCMC6646
Formula: C22H24O9
Common Name | Homonataloin |
IUPAC Name | (10R)-2,8-dihydroxy-1-methoxy-6-methyl-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one |
Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)[C@H]1c2cc(C)cc(c2C(=O)c2c1ccc(c2OC)O)O |
Standard InCHI | InChI=1S/C22H24O9/c1-8-5-10-14(22-20(29)19(28)17(26)13(7-23)31-22)9-3-4-11(24)21(30-2)16(9)18(27)15(10)12(25)6-8/h3-6,13-14,17,19-20,22-26,28-29H,7H2,1-2H3/t13-,14-,17-,19+,20-,22+/m1/s1 |
Standard InCHIKey | RVKRJABUQLMQNO-IPZRHRPYSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [38350930]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC664
Formula: C21H22O9
Common Name | Aloin |
IUPAC Name | 1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one |
Canonical SMILES | OCc1cc(O)c2c(c1)C([C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1c(C2=O)c(O)ccc1 |
Standard InCHI | InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14?,17-,19+,20-,21+/m1/s1 |
Standard InCHIKey | AFHJQYHRLPMKHU-CGISPIQUSA-N |
External Identifiers | ChEMBL [CHEMBL497001]; PubChem [9866696]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC663
Formula: C15H10O5
Common Name | Aloe-Emodin |
IUPAC Name | 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione |
Canonical SMILES | OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1 |
Standard InCHI | InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2 |
Standard InCHIKey | YDQWDHRMZQUTBA-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL40275]; PubChem [10207]; |
Reference of Component-Ingredient Pair | 24854283 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
TCMH1589 | Rumex patientia | Niu Xi Xi | 牛西西 |
TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
TCMH2087 | Grangea maderaspatana | Tian Ji Huang | 田基黄 |
TCMH2335 | Hemerocallis fulva | Xuan Cao Gen | 萱草根 |
TCMH2445 | Cassia angustifolia | Yang Xie | 洋泻 |
TCMH2505 | Siphonostegia chinensis | Yin Xing Cao | 阴行草 |
TCMH363 | Rheum officinale | Da Huang | 大黄 |
Ingredient ID: TCMC6568
Formula: C21H22O10
Common Name | 7-Hydroxyaloin |
IUPAC Name | 1,2,8-trihydroxy-6-(hydroxymethyl)-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one |
Canonical SMILES | OC[C@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)C1c2cc(CO)cc(c2C(=O)c2c1ccc(c2O)O)O |
Standard InCHI | InChI=1S/C21H22O10/c22-5-7-3-9-13(21-20(30)19(29)17(27)12(6-23)31-21)8-1-2-10(24)16(26)15(8)18(28)14(9)11(25)4-7/h1-4,12-13,17,19-27,29-30H,5-6H2/t12-,13?,17-,19-,20-,21-/m1/s1 |
Standard InCHIKey | HKKOALUTOMGGMT-ZMFBXEHYSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [22524275]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC648
Formula: C2H6O
Common Name | Alcohol |
IUPAC Name | ethanol |
Canonical SMILES | CCO |
Standard InCHI | InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 |
Standard InCHIKey | LFQSCWFLJHTTHZ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL545]; PubChem [702]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1721 | Panax ginseng | Ren Shen | 人参 |
TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1839 | Panax ginseng | Shan Shen | 山参 |
TCMH2059 | Radix pseudostellariae | Tai Zi Shen | 太子参 |
TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
TCMH382 | Allium sativum | Da Suan | 大蒜 |
Ingredient ID: TCMC6354
Formula: C20H36O16
Common Name | Galactan |
IUPAC Name | 2-[6-[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol |
Canonical SMILES | OCC1OC(OC2C(CO)OC(C(C2O)O)OC)C(C(C1OC1OC(CO)C(C(C1O)O)OC)O)O |
Standard InCHI | InChI=1S/C20H36O16/c1-30-15-6(3-21)33-19(13(28)9(15)24)36-17-8(5-23)34-20(14(29)11(17)26)35-16-7(4-22)32-18(31-2)12(27)10(16)25/h6-29H,3-5H2,1-2H3 |
Standard InCHIKey | HYRUXGRHTJRKNG-UHFFFAOYSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [20758205]; |
Reference of Component-Ingredient Pair | US9034846 |
Ingredient ID: TCMC627
Formula: C3H4O
Common Name | Acrolein |
IUPAC Name | prop-2-enal |
Canonical SMILES | C=CC=O |
Standard InCHI | InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2 |
Standard InCHIKey | HGINCPLSRVDWNT-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL721]; PubChem [7847]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC6196
Formula: C11H14O3
Common Name | Feroxidin |
IUPAC Name | (6R,8R)-8-methyl-5,6,7,8-tetrahydronaphthalene-1,3,6-triol |
Canonical SMILES | O[C@@H]1C[C@@H](C)c2c(C1)cc(cc2O)O |
Standard InCHI | InChI=1S/C11H14O3/c1-6-2-8(12)3-7-4-9(13)5-10(14)11(6)7/h4-6,8,12-14H,2-3H2,1H3/t6-,8-/m1/s1 |
Standard InCHIKey | WEHCLKPVYGSJHR-HTRCEHHLSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [14729460]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC613
Formula: C8H8O
Common Name | Acetophenone |
IUPAC Name | 1-phenylethanone |
Canonical SMILES | CC(=O)c1ccccc1 |
Standard InCHI | InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3 |
Standard InCHIKey | KWOLFJPFCHCOCG-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL274467]; PubChem [7410]; |
Reference of Component-Ingredient Pair | 23031090 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
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 |
Ingredient ID: TCMC612
Formula: C3H6O
Common Name | Acetone |
IUPAC Name | propan-2-one |
Canonical SMILES | CC(=O)C |
Standard InCHI | InChI=1S/C3H6O/c1-3(2)4/h1-2H3 |
Standard InCHIKey | CSCPPACGZOOCGX-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL14253]; PubChem [180]; |
Reference of Component-Ingredient Pair | 22964031 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
TCMH382 | Allium sativum | Da Suan | 大蒜 |
Ingredient ID: TCMC611
Formula: C3H6O2
Common Name | Acetic Acid Methyl Ester |
IUPAC Name | methyl acetate |
Canonical SMILES | COC(=O)C |
Standard InCHI | InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3 |
Standard InCHIKey | KXKVLQRXCPHEJC-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL14079]; PubChem [6584]; |
Reference of Component-Ingredient Pair | 22513256 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
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 |
TCMH1486 | Ephedra sinica | Mi Ma Huang | 蜜麻黄 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Ingredient ID: TCMC607
Formula: C2H4O
Common Name | Acetaldehyde |
IUPAC Name | acetaldehyde |
Canonical SMILES | CC=O |
Standard InCHI | InChI=1S/C2H4O/c1-2-3/h2H,1H3 |
Standard InCHIKey | IKHGUXGNUITLKF-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL170365]; PubChem [177]; |
Reference of Component-Ingredient Pair | 22980827 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1153 | Vinum | Jiu | 酒 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
TCMH2624 | Anemarrhena asphodeloides | Zhi Mu | 知母 |
TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
TCMH382 | Allium sativum | Da Suan | 大蒜 |
TCMH924 | Zanthoxylum bungeanum | Hua Jiao | 花椒 |
Ingredient ID: TCMC5879
Formula: C15H26O
Common Name | Campherenol |
IUPAC Name | (1R,2S,4R,7S)-1,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-ol |
Canonical SMILES | CC(=CCC[C@@]1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)O)C |
Standard InCHI | InChI=1S/C15H26O/c1-11(2)6-5-8-14(3)12-7-9-15(14,4)13(16)10-12/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13+,14+,15+/m1/s1 |
Standard InCHIKey | SGAYOTORECIFCJ-QPSCCSFWSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [12302342]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC5849
Formula: C19H22O10
Common Name | Isoaloesin |
IUPAC Name | 7-hydroxy-5-methyl-2-(2-oxopropyl)-6-[(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](Oc2c(O)cc3c(c2C)c(=O)cc(o3)CC(=O)C)[C@@H]([C@H]([C@@H]1O)O)O |
Standard InCHI | InChI=1S/C19H22O10/c1-7(21)3-9-4-10(22)14-8(2)18(11(23)5-12(14)27-9)29-19-17(26)16(25)15(24)13(6-20)28-19/h4-5,13,15-17,19-20,23-26H,3,6H2,1-2H3/t13-,15-,16+,17-,19+/m1/s1 |
Standard InCHIKey | JQJWMEOMYOPXGM-YRHQEJDOSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [11972379]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC507
Formula: C8H8O2
Common Name | 4-Methylbenzoic Acid |
IUPAC Name | 4-methylbenzoic acid |
Canonical SMILES | OC(=O)c1ccc(cc1)C |
Standard InCHI | InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10) |
Standard InCHIKey | LPNBBFKOUUSUDB-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL21708]; PubChem [7470]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
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 |
TCMH2462 | Crataegus pinnatifida | Ye Shan Zha | 野山楂 |
TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
TCMH737 | Crataegus pinnatifida | Guang Shan Zha | 广山楂 |
Ingredient ID: TCMC503
Formula: C10H10O3
Common Name | 4-Methoxycinnamic Acid |
IUPAC Name | (E)-3-(4-methoxyphenyl)prop-2-enoic acid |
Canonical SMILES | COc1ccc(cc1)/C=C/C(=O)O |
Standard InCHI | InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+ |
Standard InCHIKey | AFDXODALSZRGIH-QPJJXVBHSA-N |
External Identifiers | ChEMBL [CHEMBL95770]; PubChem [699414]; |
Reference of Component-Ingredient Pair | 24908112 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1535 | Equisetum hiemale | Mu Zei | 木贼 |
TCMH2114 | Adiantum capillus-veneris | Tie Xian Cao | 铁线草 |
TCMH2343 | Scrophularia ningpoensis | Xuan Shen | 玄参 |
TCMH2553 | Scrophularia ningpoensis | Yuan Shen | 元参 |
TCMH2554 | Polygala tenuifolia | Yuan Zhi | 远志 |
TCMH2555 | Polygala tenuifolia | Yuan Zhi Jin Gao | 远志浸膏 |
TCMH2556 | Polygala tenuifolia | Yuan Zhi Liu Jin Gao | 远志流浸膏 |
Ingredient ID: TCMC4983
Formula: C5H10O5
Common Name | Arabinose |
IUPAC Name | (2R,3S,4S)-2,3,4,5-tetrahydroxypentanal |
Canonical SMILES | OC[C@@H]([C@@H]([C@H](C=O)O)O)O |
Standard InCHI | InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m0/s1 |
Standard InCHIKey | PYMYPHUHKUWMLA-VAYJURFESA-N |
External Identifiers | ChEMBL [N/A]; PubChem [5460291]; |
Reference of Component-Ingredient Pair | 18575998 |
Ingredient ID: TCMC4982
Formula: C3H5O3
Common Name | Magnesium Lactate |
IUPAC Name | (2S)-2-hydroxypropanoate |
Canonical SMILES | [O-]C(=O)[C@@H](O)C |
Standard InCHI | InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1 |
Standard InCHIKey | JVTAAEKCZFNVCJ-REOHCLBHSA-M |
External Identifiers | ChEMBL [N/A]; PubChem [5460161]; |
Reference of Component-Ingredient Pair | 25956060 |
Ingredient ID: TCMC473
Formula: C10H16O
Common Name | 4,7,7-Trimethylbicyclo[2.2.1]Heptan-3-One |
IUPAC Name | 4,7,7-trimethylbicyclo[2.2.1]heptan-3-one |
Canonical SMILES | O=C1CC2C(C1(C)CC2)(C)C |
Standard InCHI | InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3 |
Standard InCHIKey | DSSYKIVIOFKYAU-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL15768]; PubChem [2537]; |
Reference of Component-Ingredient Pair | 25636489 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1393 | Verbena officinalis | Ma Bian Cao | 马鞭草 |
Ingredient ID: TCMC4589
Formula: C13H12O4
Common Name | Aloesone |
IUPAC Name | 7-hydroxy-5-methyl-2-(2-oxopropyl)chromen-4-one |
Canonical SMILES | CC(=O)Cc1cc(=O)c2c(o1)cc(cc2C)O |
Standard InCHI | InChI=1S/C13H12O4/c1-7-3-9(15)5-12-13(7)11(16)6-10(17-12)4-8(2)14/h3,5-6,15H,4H2,1-2H3 |
Standard InCHIKey | JHELBXAAAYUKCT-UHFFFAOYSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [5317700]; |
Reference of Component-Ingredient Pair | 21637580 |
Ingredient ID: TCMC4587
Formula: C29H30O10
Common Name | Aloeresin G |
IUPAC Name | [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-methoxy-5-methyl-4-oxo-2-[(E)-prop-1-enyl]chromen-8-yl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate |
Canonical SMILES | C/C=C/c1cc(=O)c2c(o1)c(c(cc2C)OC)[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1OC(=O)/C=C/c1ccc(cc1)O)O)O |
Standard InCHI | InChI=1S/C29H30O10/c1-4-5-18-13-19(32)23-15(2)12-20(36-3)24(27(23)37-18)28-29(26(35)25(34)21(14-30)38-28)39-22(33)11-8-16-6-9-17(31)10-7-16/h4-13,21,25-26,28-31,34-35H,14H2,1-3H3/b5-4+,11-8+/t21-,25-,26+,28+,29-/m1/s1 |
Standard InCHIKey | GNJGAHVOVZSAER-YKNVIJTPSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [5317680]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC4586
Formula: C28H28O11
Common Name | Aloeresin A |
IUPAC Name | [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate |
Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)OC(=O)/C=C/c1ccc(cc1)O)c1c(O)cc(c2c1oc(CC(=O)C)cc2=O)C |
Standard InCHI | InChI=1S/C28H28O11/c1-13-9-18(32)23(26-22(13)19(33)11-17(37-26)10-14(2)30)27-28(25(36)24(35)20(12-29)38-27)39-21(34)8-5-15-3-6-16(31)7-4-15/h3-9,11,20,24-25,27-29,31-32,35-36H,10,12H2,1-2H3/b8-5+/t20-,24-,25+,27+,28-/m1/s1 |
Standard InCHIKey | QACRJXSXSVUOFZ-HINKZNOMSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [5317657]; |
Reference of Component-Ingredient Pair | 18508205 |
Ingredient ID: TCMC4559
Formula: C18H16O7
Common Name | Feralolide |
IUPAC Name | (3R)-3-[(2-acetyl-3,5-dihydroxyphenyl)methyl]-6,8-dihydroxy-3,4-dihydroisochromen-1-one |
Canonical SMILES | Oc1cc(C[C@H]2OC(=O)c3c(C2)cc(cc3O)O)c(c(c1)O)C(=O)C |
Standard InCHI | InChI=1S/C18H16O7/c1-8(19)16-9(2-11(20)6-14(16)22)4-13-5-10-3-12(21)7-15(23)17(10)18(24)25-13/h2-3,6-7,13,20-23H,4-5H2,1H3/t13-/m1/s1 |
Standard InCHIKey | YAAJRTVBAVFJQG-CYBMUJFWSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [5317333]; |
Reference of Component-Ingredient Pair | 19521919 |
Ingredient ID: TCMC4408
Formula: C28H48O
Common Name | Campesterol,M-Cresol |
IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-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 | O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CC[C@@H](C(C)C)C)C)C)C1)C |
Standard InCHI | InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1 |
Standard InCHIKey | SGNBVLSWZMBQTH-ZRUUVFCLSA-N |
External Identifiers | ChEMBL [CHEMBL485421]; PubChem [5283637]; |
Reference of Component-Ingredient Pair | 28357621 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1721 | Panax ginseng | Ren Shen | 人参 |
TCMH1797 | Morus alba | Sang Ye | 桑叶 |
TCMH1845 | Dioscorea batatas | Shan Yao | 山药 |
TCMH700 | Drynaria fortunei | Gu Sui Bu | 骨碎补 |
TCMH834 | Semen glycine max | Hei Dou | 黑豆 |
TCMH949 | Phellodendron amurense | Huang Bai | 黄柏 |
TCMH986 | Scutellaria baicalensis | Huang Qin | 黄芩 |
Ingredient ID: TCMC420
Formula: C8H8O4
Common Name | 3,4-Dihydroxyphenylacetic Acid |
IUPAC Name | 2-(3,4-dihydroxyphenyl)acetic acid |
Canonical SMILES | OC(=O)Cc1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) |
Standard InCHIKey | CFFZDZCDUFSOFZ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1284]; PubChem [547]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC4110
Formula: C15H12O4
Common Name | Furoaloesone |
IUPAC Name | 5-methyl-2-(2-oxopropyl)furo[2,3-h]chromen-4-one |
Canonical SMILES | CC(=O)Cc1cc(=O)c2c(o1)c1ccoc1cc2C |
Standard InCHI | InChI=1S/C15H12O4/c1-8-5-13-11(3-4-18-13)15-14(8)12(17)7-10(19-15)6-9(2)16/h3-5,7H,6H2,1-2H3 |
Standard InCHIKey | DKEVPQSVGDIHJO-UHFFFAOYSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [639278]; |
Reference of Component-Ingredient Pair | 17485848 |
Ingredient ID: TCMC399
Formula: C6H5NO2
Common Name | 2-Picolinic Acid |
IUPAC Name | pyridine-2-carboxylic acid |
Canonical SMILES | OC(=O)c1ccccn1 |
Standard InCHI | InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9) |
Standard InCHIKey | SIOXPEMLGUPBBT-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL72628]; PubChem [1018]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC395
Formula: C9H16O
Common Name | 2-Nonenal |
IUPAC Name | (E)-non-2-enal |
Canonical SMILES | CCCCCC/C=C/C=O |
Standard InCHI | InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+ |
Standard InCHIKey | BSAIUMLZVGUGKX-BQYQJAHWSA-N |
External Identifiers | ChEMBL [CHEMBL450072]; PubChem [5283335]; |
Reference of Component-Ingredient Pair | 20619253 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
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 |
TCMH1486 | Ephedra sinica | Mi Ma Huang | 蜜麻黄 |
Ingredient ID: TCMC391
Formula: C5H6O
Common Name | 2-Methylfuran |
IUPAC Name | 2-methylfuran |
Canonical SMILES | Cc1ccco1 |
Standard InCHI | InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3 |
Standard InCHIKey | VQKFNUFAXTZWDK-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1445555]; PubChem [10797]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1495 | Gossypium herbaceum | Mian Hua Gen | 棉花根 |
TCMH1721 | Panax ginseng | Ren Shen | 人参 |
TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1839 | Panax ginseng | Shan Shen | 山参 |
TCMH2191 | Prunus mume | Wu Mei | 乌梅 |
TCMH2192 | Prunus mume | Wu Mei Rou | 乌梅肉 |
TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
TCMH421 | Angelica sinensis | Dang Gui | 当归 |
Ingredient ID: TCMC3832
Formula: C6H10O7
Common Name | Glucuronic Acid |
IUPAC Name | (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid |
Canonical SMILES | O[C@@H]1O[C@H](C(=O)[O-])[C@H]([C@@H]([C@H]1O)O)O |
Standard InCHI | InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/p-1/t1-,2-,3+,4-,6+/m0/s1 |
Standard InCHIKey | AEMOLEFTQBMNLQ-QIUUJYRFSA-M |
External Identifiers | ChEMBL [CHEMBL1159524]; PubChem [441478]; |
Reference of Component-Ingredient Pair | 22069744 |
Ingredient ID: TCMC3814
Formula: C6H12O5
Common Name | Rhamnose |
IUPAC Name | (2R,3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol |
Canonical SMILES | O[C@H]1[C@H](C)O[C@H]([C@@H]([C@@H]1O)O)O |
Standard InCHI | InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1 |
Standard InCHIKey | SHZGCJCMOBCMKK-HGVZOGFYSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [439710]; |
Reference of Component-Ingredient Pair | 23836132 |
Ingredient ID: TCMC3812
Formula: C6H12O6
Common Name | Mannose-B |
IUPAC Name | (2R,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
Canonical SMILES | OC[C@H]1O[C@@H](O)[C@H]([C@H]([C@@H]1O)O)O |
Standard InCHI | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1 |
Standard InCHIKey | WQZGKKKJIJFFOK-RWOPYEJCSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [439680]; |
Reference of Component-Ingredient Pair | 17516162 |
Ingredient ID: TCMC3695
Formula: C6H12O6
Common Name | Mannose |
IUPAC Name | (2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
Canonical SMILES | OC[C@H]1O[C@H](O)[C@H]([C@H]([C@@H]1O)O)O |
Standard InCHI | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1 |
Standard InCHIKey | WQZGKKKJIJFFOK-PQMKYFCFSA-N |
External Identifiers | ChEMBL [CHEMBL365590]; PubChem [185698]; |
Reference of Component-Ingredient Pair | 22771955 |
Ingredient ID: TCMC3692
Formula: C16H28O2
Common Name | Hexadecadienoic Acid |
IUPAC Name | hexadeca-2,4-dienoic acid |
Canonical SMILES | CCCCCCCCCCCC=CC=CC(=O)[O-] |
Standard InCHI | InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h12-15H,2-11H2,1H3,(H,17,18)/p-1 |
Standard InCHIKey | OOJGMLFHAQOYIL-UHFFFAOYSA-M |
External Identifiers | ChEMBL [N/A]; PubChem [185666]; |
Reference of Component-Ingredient Pair | 21761281 |
Ingredient ID: TCMC3652
Formula: C28H48O
Common Name | Campesterol |
IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-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 | O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CC[C@H](C(C)C)C)C)C)C1)C |
Standard InCHI | InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1 |
Standard InCHIKey | SGNBVLSWZMBQTH-PODYLUTMSA-N |
External Identifiers | ChEMBL [CHEMBL520535]; PubChem [173183]; |
Reference of Component-Ingredient Pair | 23017420 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
TCMH240 | Plantago depressa | Che Qian Cao | 车前草 |
TCMH2722 | Perilla frutescens var. arguta | Zi Su Ye | 紫苏叶 |
TCMH2725 | Fructus perillae | Zi Su Zi | 紫苏子 |
TCMH449 | Cortex lycii radicis | Di Gu Pi | 地骨皮 |
TCMH90 | Imperata cylindrica | Bai Mao Gen | 白茅根 |
Ingredient ID: TCMC3609
Formula: C19H22O10
Common Name | Aloenin |
IUPAC Name | 6-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one |
Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)cc(c2c2cc(OC)cc(=O)o2)C)[C@@H]([C@H]([C@@H]1O)O)O |
Standard InCHI | InChI=1S/C19H22O10/c1-8-3-9(21)4-11(15(8)12-5-10(26-2)6-14(22)27-12)28-19-18(25)17(24)16(23)13(7-20)29-19/h3-6,13,16-21,23-25H,7H2,1-2H3/t13-,16-,17+,18-,19-/m1/s1 |
Standard InCHIKey | KFJNVVJUICKJEQ-LQDZTQBFSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [162305]; |
Reference of Component-Ingredient Pair | 19348024 |
Ingredient ID: TCMC3573
Formula: C19H22O9
Common Name | Aloesin |
IUPAC Name | 7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(c2c1oc(CC(=O)C)cc2=O)C |
Standard InCHI | InChI=1S/C19H22O9/c1-7-3-10(22)14(19-17(26)16(25)15(24)12(6-20)28-19)18-13(7)11(23)5-9(27-18)4-8(2)21/h3,5,12,15-17,19-20,22,24-26H,4,6H2,1-2H3/t12-,15-,16+,17-,19+/m1/s1 |
Standard InCHIKey | HKIKAXXIWJHWLY-ZIIYPAMZSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [160190]; |
Reference of Component-Ingredient Pair | 26264241 |
Ingredient ID: TCMC3553
Formula: C21H22O10
Common Name | 7-Hydroxyaloin A |
IUPAC Name | (10R)-1,2,8-trihydroxy-6-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one |
Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)[C@H]1c2cc(CO)cc(c2C(=O)c2c1ccc(c2O)O)O |
Standard InCHI | InChI=1S/C21H22O10/c22-5-7-3-9-13(21-20(30)19(29)17(27)12(6-23)31-21)8-1-2-10(24)16(26)15(8)18(28)14(9)11(25)4-7/h1-4,12-13,17,19-27,29-30H,5-6H2/t12-,13-,17-,19+,20-,21+/m1/s1 |
Standard InCHIKey | HKKOALUTOMGGMT-UUBBYFPSSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [158096]; |
Reference of Component-Ingredient Pair | 20806241 |
Ingredient ID: TCMC3401
Formula: C3H6O3
Common Name | Lactic Acid |
IUPAC Name | (2S)-2-hydroxypropanoic acid |
Canonical SMILES | [O-]C(=O)[C@@H](O)C |
Standard InCHI | InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1 |
Standard InCHIKey | JVTAAEKCZFNVCJ-REOHCLBHSA-M |
External Identifiers | ChEMBL [CHEMBL330546]; PubChem [107689]; |
Reference of Component-Ingredient Pair | 23396314 |
Ingredient ID: TCMC3358
Formula: C15H10O5
Common Name | Helminthosporin |
IUPAC Name | 1,5,8-trihydroxy-3-methylanthracene-9,10-dione |
Canonical SMILES | Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1O |
Standard InCHI | InChI=1S/C15H10O5/c1-6-4-7-11(10(18)5-6)15(20)13-9(17)3-2-8(16)12(13)14(7)19/h2-5,16-18H,1H3 |
Standard InCHIKey | YOOXNSPYGCZLAX-UHFFFAOYSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [97560]; |
Reference of Component-Ingredient Pair | 18758095 |
Ingredient ID: TCMC3289
Formula: C6H10O7
Common Name | Galacturonic Acid |
IUPAC Name | (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid |
Canonical SMILES | O=C[C@@H]([C@H]([C@H]([C@@H](C(=O)[O-])O)O)O)O |
Standard InCHI | InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/p-1/t2-,3+,4+,5-/m0/s1 |
Standard InCHIKey | IAJILQKETJEXLJ-RSJOWCBRSA-M |
External Identifiers | ChEMBL [N/A]; PubChem [84740]; |
Reference of Component-Ingredient Pair | 24502254 |
Ingredient ID: TCMC3088
Formula: C15H30O2
Common Name | Pentadecanoic Acid |
IUPAC Name | pentadecanoic acid |
Canonical SMILES | CCCCCCCCCCCCCCC(=O)[O-] |
Standard InCHI | InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)/p-1 |
Standard InCHIKey | WQEPLUUGTLDZJY-UHFFFAOYSA-M |
External Identifiers | ChEMBL [CHEMBL460025]; PubChem [13849]; |
Reference of Component-Ingredient Pair | 29968805 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
TCMH2295 | fructus foeniculi | Xiao Hui Xiang | 小茴香 |
TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
TCMH699 | Eriocaulon buergerianum | Gu Jing Cao | 谷精草 |
TCMH797 | Sargassum | Hai Zao | 海藻 |
TCMH877 | Radix ginseng rubra | Hong Shen | 红参 |
TCMH925 | Exocarpium citri grandis | Hua Ju Hong | 化橘红 |
Ingredient ID: TCMC3018
Formula: C14H10O
Common Name | Anthranol |
IUPAC Name | anthracen-9-ol |
Canonical SMILES | Oc1c2ccccc2cc2c1cccc2 |
Standard InCHI | InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15H |
Standard InCHIKey | AUKRYONWZHRJRE-UHFFFAOYSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [10731]; |
Reference of Component-Ingredient Pair | 16674042 |
Ingredient ID: TCMC3015
Formula: C6H12O7
Common Name | Gluconic Acid |
IUPAC Name | (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid |
Canonical SMILES | OC[C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O |
Standard InCHI | InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/p-1/t2-,3-,4+,5-/m1/s1 |
Standard InCHIKey | RGHNJXZEOKUKBD-SQOUGZDYSA-M |
External Identifiers | ChEMBL [CHEMBL464345]; PubChem [10690]; |
Reference of Component-Ingredient Pair | 22986198 |
Ingredient ID: TCMC3006
Formula: C17H34O2
Common Name | Daturic Acid,Heptadecanoic Acid,Margaric Acid |
IUPAC Name | heptadecanoic acid |
Canonical SMILES | CCCCCCCCCCCCCCCCC(=O)[O-] |
Standard InCHI | InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)/p-1 |
Standard InCHIKey | KEMQGTRYUADPNZ-UHFFFAOYSA-M |
External Identifiers | ChEMBL [CHEMBL1172910]; PubChem [10465]; |
Reference of Component-Ingredient Pair | 29968805 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH2241 | Panax quinquefolium | Xi Yang Shen | 西洋参 |
TCMH2725 | Fructus perillae | Zi Su Zi | 紫苏子 |
TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
TCMH797 | Sargassum | Hai Zao | 海藻 |
TCMH877 | Radix ginseng rubra | Hong Shen | 红参 |
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 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
TCMH105 | Paeonia lactiflora | Bai Shao Gan Jin Gao | 白芍干浸膏 |
TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
Ingredient ID: TCMC2888
Formula: C6H12O6
Common Name | Galactose |
IUPAC Name | (3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
Canonical SMILES | OC[C@H]1OC(O)[C@@H]([C@H]([C@H]1O)O)O |
Standard InCHI | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m1/s1 |
Standard InCHIKey | WQZGKKKJIJFFOK-SVZMEOIVSA-N |
External Identifiers | ChEMBL [CHEMBL195923]; PubChem [6036]; |
Reference of Component-Ingredient Pair | 29427785 |
Ingredient ID: TCMC2887
Formula: C5H10O5
Common Name | Xylose |
IUPAC Name | (2S,3R,4S,5R)-oxane-2,3,4,5-tetrol |
Canonical SMILES | O[C@@H]1CO[C@@H]([C@@H]([C@H]1O)O)O |
Standard InCHI | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1 |
Standard InCHIKey | SRBFZHDQGSBBOR-LECHCGJUSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [6027]; |
Reference of Component-Ingredient Pair | 22315613 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1339 | Phragmites communis | Lu Gen | 芦根 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1721 | Panax ginseng | Ren Shen | 人参 |
TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
TCMH1845 | Dioscorea batatas | Shan Yao | 山药 |
TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
TCMH90 | Imperata cylindrica | Bai Mao Gen | 白茅根 |
Ingredient ID: TCMC2886
Formula: C12H22O11
Common Name | Sucrose |
IUPAC Name | (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
Canonical SMILES | OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
Standard InCHI | InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 |
Standard InCHIKey | CZMRCDWAGMRECN-UGDNZRGBSA-N |
External Identifiers | ChEMBL [CHEMBL253582]; PubChem [5988]; |
Reference of Component-Ingredient Pair | 29968805 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
TCMH1329 | Arillus longan | Long Yan Rou | 龙眼肉 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
TCMH1721 | Panax ginseng | Ren Shen | 人参 |
TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
TCMH182 | Areca catechu | Bing Lang | 槟榔 |
TCMH1848 | Crataegus pinnatifida | Shan Zha | 山楂 |
TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
Ingredient ID: TCMC2883
Formula: C6H12O6
Common Name | D-Glucose,Glucose |
IUPAC Name | (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
Canonical SMILES | OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)O)O |
Standard InCHI | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1 |
Standard InCHIKey | WQZGKKKJIJFFOK-GASJEMHNSA-N |
External Identifiers | ChEMBL [CHEMBL1222250]; PubChem [5793]; |
Reference of Component-Ingredient Pair | 22902238 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1339 | Phragmites communis | Lu Gen | 芦根 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1370 | Siraitia grosvenorii | Luo Han Guo | 罗汉果 |
TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
TCMH1845 | Dioscorea batatas | Shan Yao | 山药 |
TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
TCMH206 | Fructus xanthii sibirici | Cang Er Zi | 苍耳子 |
TCMH31 | Morinda officinalis | Ba Ji Tian | 巴戟天 |
TCMH388 | Ziziphus jujuba | Da Zao | 大枣 |
TCMH90 | Imperata cylindrica | Bai Mao Gen | 白茅根 |
Ingredient ID: TCMC2849
Formula: C4H6O6
Common Name | Tartaric Acid |
IUPAC Name | 2,3-dihydroxybutanedioic acid |
Canonical SMILES | OC(C(C(=O)[O-])O)C(=O)[O-] |
Standard InCHI | InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-2 |
Standard InCHIKey | FEWJPZIEWOKRBE-UHFFFAOYSA-L |
External Identifiers | ChEMBL [CHEMBL333714]; PubChem [875]; |
Reference of Component-Ingredient Pair | 22961889 |
Ingredient ID: TCMC2844
Formula: C4H6O5
Common Name | Malic Acid |
IUPAC Name | 2-hydroxybutanedioic acid |
Canonical SMILES | [O-]C(=O)CC(C(=O)[O-])O |
Standard InCHI | InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2 |
Standard InCHIKey | BJEPYKJPYRNKOW-UHFFFAOYSA-L |
External Identifiers | ChEMBL [CHEMBL1455497]; PubChem [525]; |
Reference of Component-Ingredient Pair | 29968805 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
TCMH1848 | Crataegus pinnatifida | Shan Zha | 山楂 |
TCMH206 | Fructus xanthii sibirici | Cang Er Zi | 苍耳子 |
TCMH388 | Ziziphus jujuba | Da Zao | 大枣 |
TCMH46 | Stemona tuberosa | Bai Bu | 百部 |
TCMH90 | Imperata cylindrica | Bai Mao Gen | 白茅根 |
Ingredient ID: TCMC284
Formula: C10H16
Common Name | 1-Methyl-4-Prop-1-En-2-Ylcyclohexene |
IUPAC Name | 1-methyl-4-prop-1-en-2-ylcyclohexene |
Canonical SMILES | CC1=CCC(CC1)C(=C)C |
Standard InCHI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3 |
Standard InCHIKey | XMGQYMWWDOXHJM-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL15799]; PubChem [22311]; |
Reference of Component-Ingredient Pair | 23449869 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
Ingredient ID: TCMC2833
Formula: C4H8N2O3
Common Name | Asparagine |
IUPAC Name | 2,4-diamino-4-oxobutanoic acid |
Canonical SMILES | NC(=O)CC(C(=O)[O-])[NH3+] |
Standard InCHI | InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9) |
Standard InCHIKey | DCXYFEDJOCDNAF-UHFFFAOYSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [236]; |
Reference of Component-Ingredient Pair | 22693425 |
Ingredient ID: TCMC274
Formula: C6H14O
Common Name | 1-Hexanol |
IUPAC Name | hexan-1-ol |
Canonical SMILES | CCCCCCO |
Standard InCHI | InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 |
Standard InCHIKey | ZSIAUFGUXNUGDI-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL14085]; PubChem [8103]; |
Reference of Component-Ingredient Pair | 22970999 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
Ingredient ID: TCMC2644
Formula: C7H12O
Common Name | (E)-2-Heptenal |
IUPAC Name | (E)-hept-2-enal |
Canonical SMILES | CCCC/C=C/C=O |
Standard InCHI | InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+ |
Standard InCHIKey | NDFKTBCGKNOHPJ-AATRIKPKSA-N |
External Identifiers | ChEMBL [CHEMBL454759]; PubChem [5283316]; |
Reference of Component-Ingredient Pair | 23004348 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1531 | Akebia quinata | Mu Tong | 木通 |
TCMH1721 | Panax ginseng | Ren Shen | 人参 |
TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
Ingredient ID: TCMC255
Formula: C15H12O4
Common Name | 1,8-Dihydroxy-3-Methyl-4A,9A-Dihydroanthracene-9,10-Dione |
IUPAC Name | 1,8-dihydroxy-3-methyl-4a,9a-dihydroanthracene-9,10-dione |
Canonical SMILES | CC1=CC2C(C(=C1)O)C(=O)c1c(C2=O)cccc1O |
Standard InCHI | InChI=1S/C15H12O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,9,13,16-17H,1H3 |
Standard InCHIKey | RJOOIZGQOJJWMS-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL443640]; PubChem [24867638]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
TCMH1589 | Rumex patientia | Niu Xi Xi | 牛西西 |
TCMH1657 | Radix moghaniae philippinensis | Qian Jin Ba | 千斤拔 |
TCMH1904 | Radix et rhizoma rhei | Sheng Jin Wen | 生锦纹 |
TCMH1905 | Radix et rhizoma rhei | Sheng Jun | 生军 |
TCMH1963 | Caulis polygoni multiflori | Shou Wu Teng | 首乌藤 |
TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
Ingredient ID: TCMC2526
Formula: C3H7NO2
Common Name | Alanine |
IUPAC Name | 2-aminopropanoic acid |
Canonical SMILES | CC(C(=O)O)N |
Standard InCHI | InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6) |
Standard InCHIKey | QNAYBMKLOCPYGJ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL12198]; PubChem [602;57383916]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
Ingredient ID: TCMC2408
Formula: C5H11NO2
Common Name | Valine |
IUPAC Name | (2S)-2-azaniumyl-3-methylbutanoate |
Canonical SMILES | N[C@H](C(=O)O)C(C)C |
Standard InCHI | InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 |
Standard InCHIKey | KZSNJWFQEVHDMF-BYPYZUCNSA-N |
External Identifiers | ChEMBL [CHEMBL43068]; PubChem [6971018;6287;8873350]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH2066 | Santalum album | Tan Xiang | 檀香 |
Ingredient ID: TCMC2402
Formula: C15H14O2
Common Name | 4-[(Z)-2-(3-Methoxyphenyl)Ethenyl]Phenol |
IUPAC Name | 4-[(Z)-2-(3-methoxyphenyl)ethenyl]phenol |
Canonical SMILES | COc1cccc(c1)/C=Cc1ccc(cc1)O |
Standard InCHI | InChI=1S/C15H14O2/c1-17-15-4-2-3-13(11-15)6-5-12-7-9-14(16)10-8-12/h2-11,16H,1H3/b6-5- |
Standard InCHIKey | ZVJLZUWCAUTTBS-WAYWQWQTSA-N |
External Identifiers | ChEMBL [CHEMBL476677]; PubChem [5469252]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
TCMH210 | Terminalia chebula | Cang Qing Guo | 藏青果 |
TCMH211 | Atractylodes lancea | Cang Zhu | 苍术 |
TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
Ingredient ID: TCMC24
Formula: C15H14O6
Common Name | (+)-Epicatechin |
IUPAC Name | (2S,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-ZFWWWQNUSA-N |
External Identifiers | ChEMBL [CHEMBL129482]; PubChem [182232]; |
Reference of Component-Ingredient Pair | 20213173 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
Ingredient ID: TCMC2387
Formula: C10H9NO2
Common Name | Indole-3-Acetic Acid |
IUPAC Name | 2-(1H-indol-3-yl)acetic acid |
Canonical SMILES | OC(=O)Cc1c[nH]c2c1cccc2 |
Standard InCHI | InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13) |
Standard InCHIKey | SEOVTRFCIGRIMH-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL82411]; PubChem [802]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1430 | Hordeum vulgare | Mai Ya | 麦芽 |
TCMH1442 | Datura stramonium | Man Tuo Luo | 曼陀罗 |
TCMH1443 | Datura stramonium | Man Tuo Luo Jin Gao | 曼陀罗浸膏 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH197 | Bombyx mori | Can E | 蚕蛾 |
TCMH200 | Bombyx mori | Can Jian | 蚕茧 |
TCMH201 | Bombyx mori | Can Sha | 蚕砂 |
TCMH202 | Bombyx mori | Can Yong | 蚕蛹 |
TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Ingredient ID: TCMC2381
Formula: C8H10O
Common Name | Phenylethyl Alcohol |
IUPAC Name | 2-phenylethanol |
Canonical SMILES | OCCc1ccccc1 |
Standard InCHI | InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
Standard InCHIKey | WRMNZCZEMHIOCP-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL448500]; PubChem [6054]; |
Reference of Component-Ingredient Pair | 22980851 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
Ingredient ID: TCMC2324
Formula: C10H16
Common Name | Limonene |
IUPAC Name | (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene |
Canonical SMILES | CC1=CC[C@@H](CC1)C(=C)C |
Standard InCHI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1 |
Standard InCHIKey | XMGQYMWWDOXHJM-JTQLQIEISA-N |
External Identifiers | ChEMBL [CHEMBL449062]; PubChem [440917]; |
Reference of Component-Ingredient Pair | 22945026 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
Ingredient ID: TCMC2238
Formula: C5H4N4O2
Common Name | Xanthine |
IUPAC Name | 3,7-dihydropurine-2,6-dione |
Canonical SMILES | Oc1nc(O)c2c(n1)[nH]cn2 |
Standard InCHI | InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) |
Standard InCHIKey | LRFVTYWOQMYALW-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1424]; PubChem [1188]; |
Reference of Component-Ingredient Pair | N/A |
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 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
Ingredient ID: TCMC2131
Formula: C4H6O6
Common Name | Tartrate |
IUPAC Name | (2R,3R)-2,3-dihydroxybutanedioic acid |
Canonical SMILES | O[C@H]([C@H](C(=O)O)O)C(=O)O |
Standard InCHI | InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1 |
Standard InCHIKey | FEWJPZIEWOKRBE-JCYAYHJZSA-N |
External Identifiers | ChEMBL [CHEMBL1236315]; PubChem [444305]; |
Reference of Component-Ingredient Pair | 22531183 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1834 | Vitex quinata | Shan Mu Jing | 山牡荆 |
TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
Ingredient ID: TCMC2130
Formula: C4H6O6
Common Name | Tartaric Acid |
IUPAC Name | (2S,3S)-2,3-dihydroxybutanedioic acid |
Canonical SMILES | O[C@@H]([C@@H](C(=O)O)O)C(=O)O |
Standard InCHI | InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1 |
Standard InCHIKey | FEWJPZIEWOKRBE-LWMBPPNESA-N |
External Identifiers | ChEMBL [CHEMBL1200861]; PubChem [439655]; |
Reference of Component-Ingredient Pair | 21151879 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
TCMH2191 | Prunus mume | Wu Mei | 乌梅 |
TCMH2192 | Prunus mume | Wu Mei Rou | 乌梅肉 |
TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
Ingredient ID: TCMC2119
Formula: C9H10O5
Common Name | Syringic Acid |
IUPAC Name | 4-hydroxy-3,5-dimethoxybenzoic acid |
Canonical SMILES | COc1cc(cc(c1O)OC)C(=O)O |
Standard InCHI | InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12) |
Standard InCHIKey | JMSVCTWVEWCHDZ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1414]; PubChem [10742]; |
Reference of Component-Ingredient Pair | 23800587 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
TCMH1059 | Glycine max | Jiang | 姜 |
TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
Ingredient ID: TCMC2111
Formula: C4H6O4
Common Name | Succinic Acid |
IUPAC Name | butanedioic acid |
Canonical SMILES | OC(=O)CCC(=O)O |
Standard InCHI | InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) |
Standard InCHIKey | KDYFGRWQOYBRFD-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL576]; PubChem [1110]; |
Reference of Component-Ingredient Pair | 29968805 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
TCMH103 | Thesium chinense | Bai Rui Cao | 百蕊草 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1036 | Spatholobus suberectus | Ji Xue Teng | 鸡血藤 |
TCMH1037 | Spatholobus suberectus | Ji Xue Teng Gan Gao | 鸡血藤干膏 |
TCMH1038 | Spatholobus suberectus | Ji Xue Teng Gao | 鸡血藤膏 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
TCMH1122 | Psammosilene tunicoides | Jin Tie Suo | 金铁锁 |
Ingredient ID: TCMC2107
Formula: C29H48O
Common Name | Stigmasterol |
IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-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)/C=C/[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/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
Standard InCHIKey | HCXVJBMSMIARIN-PHZDYDNGSA-N |
External Identifiers | ChEMBL [CHEMBL400247]; PubChem [5280794]; |
Reference of Component-Ingredient Pair | 16261518 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
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 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Ingredient ID: TCMC2084
Formula: C11H12O5
Common Name | Sinapinate |
IUPAC Name | (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid |
Canonical SMILES | COc1cc(/C=C/C(=O)O)cc(c1O)OC |
Standard InCHI | InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+ |
Standard InCHIKey | PCMORTLOPMLEFB-ONEGZZNKSA-N |
External Identifiers | ChEMBL [CHEMBL109341]; PubChem [637775]; |
Reference of Component-Ingredient Pair | 25130191 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
Ingredient ID: TCMC2031
Formula: C27H30O16
Common Name | Rutin |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 |
Standard InCHIKey | IKGXIBQEEMLURG-NVPNHPEKSA-N |
External Identifiers | ChEMBL [CHEMBL226335]; PubChem [5280805]; |
Reference of Component-Ingredient Pair | 26408079 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Ingredient ID: TCMC2014
Formula: C15H8O6
Common Name | Rhein |
IUPAC Name | 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid |
Canonical SMILES | Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O |
Standard InCHI | InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21) |
Standard InCHIKey | FCDLCPWAQCPTKC-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL418068]; PubChem [10168]; |
Reference of Component-Ingredient Pair | 26185519 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1782 | Ruta graveolens | San Ya Ku | 三桠苦 |
TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
TCMH2087 | Grangea maderaspatana | Tian Ji Huang | 田基黄 |
TCMH2244 | Prunella vulgaris | Xia Ku Cao | 夏枯草 |
TCMH2335 | Hemerocallis fulva | Xuan Cao Gen | 萱草根 |
TCMH2562 | Ruta graveolens | Yun Xiang Jin Gao | 芸香浸膏 |
TCMH363 | Rheum officinale | Da Huang | 大黄 |
TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
Ingredient ID: TCMC1986
Formula: C21H20O11
Common Name | Quercitrin |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one |
Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1 |
Standard InCHIKey | OXGUCUVFOIWWQJ-HQBVPOQASA-N |
External Identifiers | ChEMBL [CHEMBL82242]; PubChem [5280459]; |
Reference of Component-Ingredient Pair | 24685503 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
TCMH1247 | Geranium wilfordii | Lao Guan Cao | 老鹳草 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
Ingredient ID: TCMC1982
Formula: C15H10O7
Common Name | Quercetin |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one |
Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H |
Standard InCHIKey | REFJWTPEDVJJIY-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL50]; PubChem [5280343]; |
Reference of Component-Ingredient Pair | 26766292 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
Ingredient ID: TCMC1978
Formula: C5H7NO3
Common Name | Pyroglutamic Acid |
IUPAC Name | (2S)-5-oxopyrrolidine-2-carboxylic acid |
Canonical SMILES | OC(=O)[C@@H]1CCC(=N1)O |
Standard InCHI | InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1 |
Standard InCHIKey | ODHCTXKNWHHXJC-VKHMYHEASA-N |
External Identifiers | ChEMBL [CHEMBL397976]; PubChem [7405]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1678 | Indigo naturalis | Qing Dai | 青黛 |
TCMH1792 | Morus alba | Sang Pi | 桑皮 |
TCMH1797 | Morus alba | Sang Ye | 桑叶 |
TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Ingredient ID: TCMC1956
Formula: C7H6O4
Common Name | Protocatechuic Acid |
IUPAC Name | 3,4-dihydroxybenzoic acid |
Canonical SMILES | OC(=O)c1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) |
Standard InCHIKey | YQUVCSBJEUQKSH-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL37537]; PubChem [72]; |
Reference of Component-Ingredient Pair | 24685503 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH10 | Blumea balsamifera | Ai Pian | 艾片 |
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH11 | Blumea balsamifera | Ai Tan | 艾炭 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
Ingredient ID: TCMC1895
Formula: C5H7NO3
Common Name | Pidolic Acid |
IUPAC Name | 5-oxopyrrolidine-2-carboxylic acid |
Canonical SMILES | OC(=O)C1CCC(=N1)O |
Standard InCHI | InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9) |
Standard InCHIKey | ODHCTXKNWHHXJC-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL284718]; PubChem [499]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
TCMH381 | Isatis indigotica | Da Qing Ye | 大青叶 |
Ingredient ID: TCMC1877
Formula: C9H8O3
Common Name | Phenylpyruvate |
IUPAC Name | 2-oxo-3-phenylpropanoic acid |
Canonical SMILES | O=C(C(=O)O)Cc1ccccc1 |
Standard InCHI | InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12) |
Standard InCHIKey | BTNMPGBKDVTSJY-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1162488]; PubChem [997]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC1871
Formula: C6H6O
Common Name | Phenol |
IUPAC Name | phenol |
Canonical SMILES | Oc1ccccc1 |
Standard InCHI | InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H |
Standard InCHIKey | ISWSIDIOOBJBQZ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL14060]; PubChem [996]; |
Reference of Component-Ingredient Pair | 29968805 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH1154 | Ilex rotunda | Jiu Bi Ying | 救必应 |
TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
Ingredient ID: TCMC1854
Formula: C5H10O
Common Name | Pentanal |
IUPAC Name | pentanal |
Canonical SMILES | CCCCC=O |
Standard InCHI | InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3 |
Standard InCHIKey | HGBOYTHUEUWSSQ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL18602]; PubChem [8063]; |
Reference of Component-Ingredient Pair | 25014914 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
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 |
TCMH1777 | Panax notoginseng | San Qi Ye Jing | 三七叶茎 |
Ingredient ID: TCMC1839
Formula: C7H6O3
Common Name | Paraben |
IUPAC Name | 4-oxoniobenzoate |
Canonical SMILES | Oc1ccc(cc1)C(=O)O |
Standard InCHI | InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) |
Standard InCHIKey | FJKROLUGYXJWQN-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL441343]; PubChem [3702506]; |
Reference of Component-Ingredient Pair | 8087979 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
Ingredient ID: TCMC1832
Formula: C16H30O2
Common Name | Palmitoleic Acid |
IUPAC Name | (Z)-hexadec-9-enoic acid |
Canonical SMILES | CCCCCC/C=CCCCCCCCC(=O)O |
Standard InCHI | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7- |
Standard InCHIKey | SECPZKHBENQXJG-FPLPWBNLSA-N |
External Identifiers | ChEMBL [CHEMBL453509]; PubChem [445638]; |
Reference of Component-Ingredient Pair | 29968805 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
TCMH1239 | Raphanus sativus | Lai Fu | 莱菔 |
TCMH1240 | Raphanus sativus | Lai Fu Zi | 莱菔子 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
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 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
Ingredient ID: TCMC182
Formula: C9H8O4
Common Name | (Z)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid |
IUPAC Name | (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid |
Canonical SMILES | OC(=O)/C=Cc1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2- |
Standard InCHIKey | QAIPRVGONGVQAS-RQOWECAXSA-N |
External Identifiers | ChEMBL [CHEMBL1320034]; PubChem [1549111]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
Ingredient ID: TCMC1807
Formula: C5H10O5
Common Name | Oxane-2,3,4,5-Tetrol |
IUPAC Name | oxane-2,3,4,5-tetrol |
Canonical SMILES | OC1COC(C(C1O)O)O |
Standard InCHI | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2 |
Standard InCHIKey | SRBFZHDQGSBBOR-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL14343]; PubChem [229]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC179
Formula: C30H28O8
Common Name | (Z)-1-[6-[(3-Acetyl-2,4,6-Trihydroxy-5-Methylphenyl)Methyl]-5,7-Dihydroxy-2,2-Dimethylchromen-8-Yl]-3-Phenylprop-2-En-1-One |
IUPAC Name | (Z)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one |
Canonical SMILES | O=C(c1c(O)c(Cc2c(O)c(C)c(c(c2O)C(=O)C)O)c(c2c1OC(C)(C)C=C2)O)/C=Cc1ccccc1 |
Standard InCHI | InChI=1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3/b11-10- |
Standard InCHIKey | DEZFNHCVIZBHBI-KHPPLWFESA-N |
External Identifiers | ChEMBL [CHEMBL1330502]; PubChem [6603986]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1589 | Rumex patientia | Niu Xi Xi | 牛西西 |
TCMH2445 | Cassia angustifolia | Yang Xie | 洋泻 |
TCMH363 | Rheum officinale | Da Huang | 大黄 |
TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
TCMH560 | Cassia angustifolia | Fan Xie Ye | 番泻叶 |
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 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
Ingredient ID: TCMC1777
Formula: C8H18O
Common Name | Octanol |
IUPAC Name | octan-1-ol |
Canonical SMILES | CCCCCCCCO |
Standard InCHI | InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3 |
Standard InCHIKey | KBPLFHHGFOOTCA-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL26215]; PubChem [957]; |
Reference of Component-Ingredient Pair | 23084055 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
Ingredient ID: TCMC1774
Formula: C9H8O3
Common Name | O-Coumaric Acid |
IUPAC Name | (E)-3-(2-hydroxyphenyl)prop-2-enoic acid |
Canonical SMILES | OC(=O)/C=C/c1ccccc1O |
Standard InCHI | InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+ |
Standard InCHIKey | PMOWTIHVNWZYFI-AATRIKPKSA-N |
External Identifiers | ChEMBL [CHEMBL52564]; PubChem [637540]; |
Reference of Component-Ingredient Pair | 26428924 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
TCMH1609 | Eupatorium fortunei | Pei Lan | 佩兰 |
TCMH1742 | Cinnamomum cassia | Rou Gui | 肉桂 |
TCMH1746 | Cinnamomum cassia | Rou Gui Zi | 肉桂子 |
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 |
Ingredient ID: TCMC1611
Formula: C14H28O2
Common Name | Myristic Acid |
IUPAC Name | tetradecanoic acid |
Canonical SMILES | CCCCCCCCCCCCCC(=O)O |
Standard InCHI | InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) |
Standard InCHIKey | TUNFSRHWOTWDNC-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL111077]; PubChem [11005]; |
Reference of Component-Ingredient Pair | 29968805 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
Ingredient ID: TCMC161
Formula: C4H8O3
Common Name | (R)-3-Hydroxybutanoate |
IUPAC Name | (3R)-3-hydroxybutanoic acid |
Canonical SMILES | C[C@H](CC(=O)O)O |
Standard InCHI | InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1 |
Standard InCHIKey | WHBMMWSBFZVSSR-GSVOUGTGSA-N |
External Identifiers | ChEMBL [CHEMBL1162484]; PubChem [92135]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC1563
Formula: C6H12O
Common Name | Methyl Isobutyl Ketone |
IUPAC Name | 4-methylpentan-2-one |
Canonical SMILES | CC(CC(=O)C)C |
Standard InCHI | InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3 |
Standard InCHIKey | NTIZESTWPVYFNL-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL285323]; PubChem [7909]; |
Reference of Component-Ingredient Pair | 23065996 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH123 | Pteris semipinnata | Ban Bian Qi | 半边旗 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1768 | Panax notoginseng | San Qi | 三七 |
TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
TCMH2066 | Santalum album | Tan Xiang | 檀香 |
TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Ingredient ID: TCMC1550
Formula: C2H6O2S
Common Name | Methanesulfonylmethane |
IUPAC Name | methylsulfonylmethane |
Canonical SMILES | CS(=O)(=O)C |
Standard InCHI | InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3 |
Standard InCHIKey | HHVIBTZHLRERCL-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL25028]; PubChem [6213]; |
Reference of Component-Ingredient Pair | 22482743 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
TCMH1535 | Equisetum hiemale | Mu Zei | 木贼 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
TCMH421 | Angelica sinensis | Dang Gui | 当归 |
TCMH422 | Angelica sinensis | Dang Gui Gan Jin Gao | 当归干浸膏 |
TCMH748 | Euonymus alatus | Gui Jian Yu | 鬼箭羽 |
TCMH892 | Hericium erinaceus | Hou Tou Jun | 猴头菌 |
Ingredient ID: TCMC1532
Formula: C8H8O3
Common Name | Mandelic Acid |
IUPAC Name | 2-hydroxy-2-phenylacetic acid |
Canonical SMILES | OC(c1ccccc1)C(=O)O |
Standard InCHI | InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11) |
Standard InCHIKey | IWYDHOAUDWTVEP-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1609]; PubChem [1292]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Ingredient ID: TCMC1496
Formula: C18H30O2
Common Name | Linolenic Acid |
IUPAC Name | (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid |
Canonical SMILES | CC/C=CC/C=CC/C=CCCCCCCCC(=O)O |
Standard InCHI | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9- |
Standard InCHIKey | DTOSIQBPPRVQHS-PDBXOOCHSA-N |
External Identifiers | ChEMBL [CHEMBL8739]; PubChem [5280934]; |
Reference of Component-Ingredient Pair | 29968805 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
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 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
Ingredient ID: TCMC1493
Formula: C10H18O
Common Name | Linalool (+) |
IUPAC Name | (3R)-3,7-dimethylocta-1,6-dien-3-ol |
Canonical SMILES | C=C[C@@](CCC=C(C)C)(O)C |
Standard InCHI | InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1 |
Standard InCHIKey | CDOSHBSSFJOMGT-JTQLQIEISA-N |
External Identifiers | ChEMBL [CHEMBL235672]; PubChem [443158]; |
Reference of Component-Ingredient Pair | 22394400 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
Ingredient ID: TCMC1492
Formula: C10H18O
Common Name | Linalool |
IUPAC Name | 3,7-dimethylocta-1,6-dien-3-ol |
Canonical SMILES | C=CC(CCC=C(C)C)(O)C |
Standard InCHI | InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3 |
Standard InCHIKey | CDOSHBSSFJOMGT-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL25306]; PubChem [6549]; |
Reference of Component-Ingredient Pair | 29029310 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Ingredient ID: TCMC1459
Formula: C3H7NO2
Common Name | L-Alanine |
IUPAC Name | (2S)-2-aminopropanoic acid |
Canonical SMILES | C[C@@H](C(=O)O)N |
Standard InCHI | InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 |
Standard InCHIKey | QNAYBMKLOCPYGJ-REOHCLBHSA-N |
External Identifiers | ChEMBL [CHEMBL279597]; PubChem [5950]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
TCMH1294 | Cornu saigae tataricae | Ling Yang Jiao | 羚羊角 |
TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
Ingredient ID: TCMC1457
Formula: C3H6O3
Common Name | Lactic Acid |
IUPAC Name | 2-hydroxypropanoic acid |
Canonical SMILES | OC(=O)C(O)C |
Standard InCHI | InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6) |
Standard InCHIKey | JVTAAEKCZFNVCJ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1200559]; PubChem [612]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
TCMH2191 | Prunus mume | Wu Mei | 乌梅 |
TCMH2192 | Prunus mume | Wu Mei Rou | 乌梅肉 |
TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
TCMH93 | Prunus mume | Bai Mei Hua | 白梅花 |
Ingredient ID: TCMC1429
Formula: C15H10O6
Common Name | Kaempferol |
IUPAC Name | 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
Canonical SMILES | Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O |
Standard InCHI | InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H |
Standard InCHIKey | IYRMWMYZSQPJKC-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL150]; PubChem [5280863]; |
Reference of Component-Ingredient Pair | 29162470 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH103 | Thesium chinense | Bai Rui Cao | 百蕊草 |
TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
Ingredient ID: TCMC1405
Formula: C3H8O
Common Name | Isopropyl Alcohol |
IUPAC Name | propan-2-ol |
Canonical SMILES | CC(O)C |
Standard InCHI | InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3 |
Standard InCHIKey | KFZMGEQAYNKOFK-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL582]; PubChem [3776]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC1390
Formula: C10H10O4
Common Name | Isoferulic Acid |
IUPAC Name | (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid |
Canonical SMILES | COc1ccc(cc1O)/C=C/C(=O)O |
Standard InCHI | InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ |
Standard InCHIKey | QURCVMIEKCOAJU-HWKANZROSA-N |
External Identifiers | ChEMBL [CHEMBL233295]; PubChem [736186]; |
Reference of Component-Ingredient Pair | 26310777 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1906 | Cimicifuga foetida | Sheng Ma | 升麻 |
TCMH2310 | Valeriana officinalis | Xie Cao | 缬草 |
TCMH2698 | Valeriana officinalis | Zhua Di Hu | 抓地虎 |
Ingredient ID: TCMC1389
Formula: C10H12O2
Common Name | Isoeugenol |
IUPAC Name | 2-methoxy-4-[(E)-prop-1-enyl]phenol |
Canonical SMILES | C/C=C/c1ccc(c(c1)OC)O |
Standard InCHI | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+ |
Standard InCHIKey | BJIOGJUNALELMI-ONEGZZNKSA-N |
External Identifiers | ChEMBL [CHEMBL193598]; PubChem [853433]; |
Reference of Component-Ingredient Pair | 27986436 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1741 | Myristica fragrans | Rou Dou Kou | 肉豆蔻 |
Ingredient ID: TCMC1385
Formula: C4H10O
Common Name | Isobutanol |
IUPAC Name | 2-methylpropan-1-ol |
Canonical SMILES | OCC(C)C |
Standard InCHI | InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 |
Standard InCHIKey | ZXEKIIBDNHEJCQ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL269630]; PubChem [6560]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1495 | Gossypium herbaceum | Mian Hua Gen | 棉花根 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
TCMH421 | Angelica sinensis | Dang Gui | 当归 |
TCMH422 | Angelica sinensis | Dang Gui Gan Jin Gao | 当归干浸膏 |
TCMH924 | Zanthoxylum bungeanum | Hua Jiao | 花椒 |
Ingredient ID: TCMC1358
Formula: C5H4N4O
Common Name | Hypoxanthine |
IUPAC Name | 3,7-dihydropurin-6-one |
Canonical SMILES | Oc1ncnc2c1nc[nH]2 |
Standard InCHI | InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) |
Standard InCHIKey | FDGQSTZJBFJUBT-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1427]; PubChem [790]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1966 | Rehmannia glutinosa | Shu Di Huang | 熟地黄 |
TCMH2590 | Pinellia pedatisecta | Zhang Ye Ban Xia | 掌叶半夏 |
TCMH2703 | Fritillaria unibracteata | Zi Bei Mu | 紫贝母 |
TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Ingredient ID: TCMC1333
Formula: C9H10O4
Common Name | Homovanillic Acid |
IUPAC Name | 2-(4-hydroxy-3-methoxyphenyl)acetic acid |
Canonical SMILES | COc1cc(ccc1O)CC(=O)O |
Standard InCHI | InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12) |
Standard InCHIKey | QRMZSPFSDQBLIX-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1562]; PubChem [1738]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC1315
Formula: C7H14O
Common Name | Heptanal |
IUPAC Name | heptanal |
Canonical SMILES | CCCCCCC=O |
Standard InCHI | InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3 |
Standard InCHIKey | FXHGMKSSBGDXIY-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL18104]; PubChem [8130]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
Ingredient ID: TCMC13
Formula: C15H14O6
Common Name | (-)-Epicatechin |
IUPAC Name | (2R,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-UKRRQHHQSA-N |
External Identifiers | ChEMBL [CHEMBL583912]; PubChem [72276]; |
Reference of Component-Ingredient Pair | 23122145 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
Ingredient ID: TCMC1269
Formula: C3H8O3
Common Name | Glycerin |
IUPAC Name | propane-1,2,3-triol |
Canonical SMILES | OCC(CO)O |
Standard InCHI | InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2 |
Standard InCHIKey | PEDCQBHIVMGVHV-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL692]; PubChem [753]; |
Reference of Component-Ingredient Pair | 22851446 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
TCMH1721 | Panax ginseng | Ren Shen | 人参 |
TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1839 | Panax ginseng | Shan Shen | 山参 |
Ingredient ID: TCMC1265
Formula: C10H17N3O6S
Common Name | Glutathione |
IUPAC Name | (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid |
Canonical SMILES | SC[C@@H](C(=NCC(=O)O)O)N=C(CC[C@@H](C(=O)O)N)O |
Standard InCHI | InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 |
Standard InCHIKey | RWSXRVCMGQZWBV-WDSKDSINSA-N |
External Identifiers | ChEMBL [CHEMBL1543]; PubChem [124886]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC1237
Formula: C7H6O4
Common Name | Gentisic Acid |
IUPAC Name | 2,5-dihydroxybenzoic acid |
Canonical SMILES | Oc1ccc(c(c1)C(=O)O)O |
Standard InCHI | InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11) |
Standard InCHIKey | WXTMDXOMEHJXQO-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1461]; PubChem [3469]; |
Reference of Component-Ingredient Pair | 22476602 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
Ingredient ID: TCMC1209
Formula: C4H9NO2
Common Name | Gamma-Aminobutyric Acid |
IUPAC Name | 4-aminobutanoic acid |
Canonical SMILES | NCCCC(=O)O |
Standard InCHI | InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) |
Standard InCHIKey | BTCSSZJGUNDROE-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL96]; PubChem [119]; |
Reference of Component-Ingredient Pair | 29968805 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
TCMH1575 | Bubalus bubalis | Niu Jiao Fen | 牛角粉 |
Ingredient ID: TCMC1197
Formula: C5H4O2
Common Name | Furfural |
IUPAC Name | furan-2-carbaldehyde |
Canonical SMILES | O=Cc1ccco1 |
Standard InCHI | InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H |
Standard InCHIKey | HYBBIBNJHNGZAN-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL189362]; PubChem [7362]; |
Reference of Component-Ingredient Pair | 23449869 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
Ingredient ID: TCMC1173
Formula: C10H10O4
Common Name | Ferulic Acid |
IUPAC Name | (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid |
Canonical SMILES | COc1cc(/C=C/C(=O)O)ccc1O |
Standard InCHI | InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ |
Standard InCHIKey | KSEBMYQBYZTDHS-HWKANZROSA-N |
External Identifiers | ChEMBL [CHEMBL32749]; PubChem [445858]; |
Reference of Component-Ingredient Pair | 25130191 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
TCMH1024 | Tribulus terrestris | Ji Li | 蒺藜 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
Ingredient ID: TCMC1157
Formula: C10H18O
Common Name | Eucalyptol |
IUPAC Name | 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane |
Canonical SMILES | CC12CCC(CC1)C(O2)(C)C |
Standard InCHI | InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3 |
Standard InCHIKey | WEEGYLXZBRQIMU-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL485259]; PubChem [2758]; |
Reference of Component-Ingredient Pair | 26795242 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
TCMH1277 | Alpinia officinarum | Liang Jiang | 良姜 |
TCMH1290 | Ocimum basilicum | Ling Ling Xiang | 零陵香 |
Ingredient ID: TCMC1144
Formula: C4H8O2
Common Name | Ethyl Acetate |
IUPAC Name | ethyl acetate |
Canonical SMILES | CCOC(=O)C |
Standard InCHI | InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3 |
Standard InCHIKey | XEKOWRVHYACXOJ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL14152]; PubChem [8857]; |
Reference of Component-Ingredient Pair | 23680158 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1531 | Akebia quinata | Mu Tong | 木通 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
TCMH2066 | Santalum album | Tan Xiang | 檀香 |
TCMH2129 | Eupolyphaga sinensis | Tu Bie Chong | 土鳖虫 |
TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
TCMH421 | Angelica sinensis | Dang Gui | 当归 |
Ingredient ID: TCMC1125
Formula: C22H42O2
Common Name | Erucic Acid |
IUPAC Name | (Z)-docos-13-enoic acid |
Canonical SMILES | CCCCCCCC/C=CCCCCCCCCCCCC(=O)O |
Standard InCHI | InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9- |
Standard InCHIKey | DPUOLQHDNGRHBS-KTKRTIGZSA-N |
External Identifiers | ChEMBL [CHEMBL1173380]; PubChem [5281116]; |
Reference of Component-Ingredient Pair | 6517562 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1239 | Raphanus sativus | Lai Fu | 莱菔 |
TCMH1240 | Raphanus sativus | Lai Fu Zi | 莱菔子 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH195 | Raphanus sativus | Cai Fu Zi | 菜菔子 |
TCMH2056 | Cynomorium songaricum | Suo Yang | 锁阳 |
TCMH210 | Terminalia chebula | Cang Qing Guo | 藏青果 |
TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
TCMH74 | Patrinia villosa | Bai Jiang | 败酱 |
TCMH826 | Terminalia chebula | He Zi | 诃子 |
Ingredient ID: TCMC1100
Formula: C20H40O2
Common Name | Elcosanoic Acid |
IUPAC Name | icosanoic acid |
Canonical SMILES | CCCCCCCCCCCCCCCCCCCC(=O)O |
Standard InCHI | InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22) |
Standard InCHIKey | VKOBVWXKNCXXDE-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1173381]; PubChem [10467]; |
Reference of Component-Ingredient Pair | 29968805 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
Ingredient ID: TCMC1091
Formula: C5H11NO2
Common Name | D-Valine |
IUPAC Name | (2R)-2-azaniumyl-3-methylbutanoate |
Canonical SMILES | N[C@@H](C(=O)O)C(C)C |
Standard InCHI | InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1 |
Standard InCHIKey | KZSNJWFQEVHDMF-SCSAIBSYSA-N |
External Identifiers | ChEMBL [CHEMBL1232398]; PubChem [6971095]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
TCMH382 | Allium sativum | Da Suan | 大蒜 |
TCMH421 | Angelica sinensis | Dang Gui | 当归 |
TCMH422 | Angelica sinensis | Dang Gui Gan Jin Gao | 当归干浸膏 |
TCMH79 | Sinapis alba | Bai Jie Zi | 白芥子 |
Ingredient ID: TCMC1081
Formula: C12H24O2
Common Name | Dodecanoate |
IUPAC Name | dodecanoic acid |
Canonical SMILES | CCCCCCCCCCCC(=O)O |
Standard InCHI | InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14) |
Standard InCHIKey | POULHZVOKOAJMA-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL108766]; PubChem [3893]; |
Reference of Component-Ingredient Pair | 29968805 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC1081 | C12H24O2 | Dodecanoate | 200.18 | -2.7457 | 2.56 | 5.294 | 2 | 1 | 37.3 | 12 | 0 | 14 | 1 |
TCMC1091 | C5H11NO2 | D-Valine | 117.08 | -0.5739 | 1.68 | -2.169 | 3 | 2 | 63.32 | 6 | 0 | 8 | 0 |
TCMC1100 | C20H40O2 | Elcosanoic Acid | 312.3 | -5.0497 | 3.44 | 9.846 | 2 | 1 | 37.3 | 20 | 0 | 22 | 2 |
TCMC1125 | C22H42O2 | Erucic Acid | 338.32 | -3.4947 | 3.66 | 10.468 | 2 | 1 | 37.3 | 21 | 0 | 24 | 2 |
TCMC1144 | C4H8O2 | Ethyl Acetate | 88.05 | 0.2715 | 1.68 | 0.664 | 2 | 0 | 26.3 | 4 | 0 | 6 | 0 |
TCMC1157 | C10H18O | Eucalyptol | 154.14 | 1.3109 | 2.45 | 2.595 | 1 | 0 | 9.23 | 3 | 0 | 11 | 0 |
TCMC1173 | C10H10O4 | Ferulic Acid | 194.06 | -0.3908 | 2.12 | 1.231 | 2 | 2 | 66.76 | 6 | 1 | 14 | 0 |
TCMC1197 | C5H4O2 | Furfural | 96.02 | -0.3465 | 1.79 | 1.057 | 1 | 0 | 30.21 | 1 | 1 | 7 | 0 |
TCMC1209 | C4H9NO2 | Gamma-Aminobutyric Acid | 103.06 | -1.2313 | 1.57 | -0.668 | 3 | 2 | 63.32 | 5 | 0 | 7 | 0 |
TCMC1237 | C7H6O4 | Gentisic Acid | 154.03 | -1.1604 | 1.79 | 1.09 | 2 | 3 | 77.76 | 4 | 1 | 11 | 0 |