Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE004287 |
ID: | TCMBANKHE004287 |
植物拉丁名: |
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功能与主治: | To replenish the liver and the kidney, to strengthen the tendons and bones, to eliminate blood stasis and stimulate menstrual discharge, and to lead the blood to flow downward./Aching in lumbus and knees, amenorrhea due to blood stasis, dysmenorrhea, postpartum blood stasis abdominal pain, concretion and conglomeration, retention of placenta , heat strangury, blood strangury, knocks and falls, swollen welling abscess and malign sore, swelling pain in throat. |
药用植物名: | 牛膝 |
药用部位: | root |
药味: | Mild; Sweet; Sour; Bitter |
经络: | Liver; Kidney |
临床特征: | 1. Inhibiting the progress of experimental arthritis in animals, and antiphlogistic and antioncotic.2. Its decoction or infusion induce concentration of gravid or ungravid uterus in experimental animals.3. Its decoction exerts a transient hypotensive and |
治疗类型: | 活血祛瘀药 |
TCM_ID_id: | 5736 |
SymMap_id: | 304 |
TCMSP_id: | 533 |
植物对应的化合物
| 化合物ID | 化合物名 | 别名 | 分子式 | 分子质量 | Smiles |
|---|
| TCMBANKIN000064 | diosgenin | AKOS025402315; MolPort-028-744-580; (25R)-5-Spirosten-3beta-ol; 3beta-Hydroxy-5-spirostene; nitogenin; NSC 226132; Spirost-5-en-3-ol, (3beta,25S)-; diosgenin ; AC-8024; 512-04-9; 22-epi-Yamogenin; C08898; D1634_SIGMA | C27H42O3 | 414.62 | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1 |
| TCMBANKIN000127 | oleanolic acid-3-O-β-D-glucuronopyranoside_qt | 3-O-β-D-glucuronopyranoside-6-O-butyl ester_qt; Oleanolic acid-28-O-beta-D-glucopyranoside_qt; 3-O-β-D-glucuronopyranoside-6-O-methyl ester_qt | 456.78 | ||
| TCMBANKIN000154 | achyranthoside A_qt | C48H72O20 | 969.07 | ||
| TCMBANKIN001359 | β-ecdysterone | C27H44O7 | 480.63 | ||
| TCMBANKIN001539 | 3-O-β-D-glucuronopyranoside-6-O-butyl ester | 689.04 | |||
| TCMBANKIN001737 | chikusetsusaponin IVA butyl ester | C46H74O14 | 851.07 | CCCCOC(=O)C1C(C(C(C(O1)OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(CCC6(C5CC(CC6)(C)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)O)O)O | |
| TCMBANKIN001871 | Monoglucuronide F | (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid; 26020-14-4; Oleanolic acid 3-O-monoglucuronide; Oleanolic acid 3-O-glucuronide; (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid; C08964; Oleanoic acid 3-O-glucuronide; (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid; 108322-31-2; (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid | C36H56O9 | 632.82 | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C2C1)C)C(=O)O)C |
| TCMBANKIN002229 | achyranthoside A trimethyl ester_qt | 835.1 | |||
| TCMBANKIN002331 | achyranthoside C butyl dimethyl ester | 1041.37 | |||
| TCMBANKIN002489 | hederagenin-28-O-β-D-glucopyranosyl ester_qt | 472.78 | |||
| TCMBANKIN002496 | poriferasta-7,22E-dien-3beta-ol | (3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; (3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; LMST01040140; (3S,5S,9R,10S,13R,14R,17R)-17-[(E,1R,4R)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; (3S,5S,9R,10S,13R,14R,17R)-17-[(E,1R,4R)-4-ethyl-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | C29H48O | 412.69 | CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C |
| TCMBANKIN003114 | 18-(β-D-Oxy glucose)-28-Oxo-12-oleanolic acid-3β-3-O-(β-D-glucose)-β-D-glucuronic acid methylester_qt | 456.78 | |||
| TCMBANKIN003151 | N-trans-feruloyl-3-methoxytyramine-4-O-β-D-glucopyranoside | 505.57 | |||
| TCMBANKIN003316 | bidentatoside,ii_qt | C40H62O13 | 750.91 | ||
| TCMBANKIN003397 | achyranthoside c_qt | achyranthoside D_qt | C47H72O20 | 957.06 | |
| TCMBANKIN003418 | deglucose chikusetsusaponin Iva | 632.92 | |||
| TCMBANKIN003514 | oleanolic acid 3-O-[β-D-glucuronopyranoside-6-O-butyl ester]-28-O-β-D-glucopyranoside | 851.2 | |||
| TCMBANKIN003628 | (20r,22r)-2beta,3beta,20,22,26-pentahydroxy-cholestan-7,12-dien-6-one | (20R,22R)-2β,3β,20,22,26-pentahydroxy-cholestan-7,12-dien-6-one | 462.69 | ||
| TCMBANKIN003630 | ginsenoside-Rg2_qt | ginsenoside- Rg2_qt; ginsenoside Rg2_qt; chikusetsusaponin I_qt; chikusetsusaponinⅠ_qt | C42H72O13 | 785.01 | |
| TCMBANKIN003681 | 28-deglucosyl-chikusetsusaponin,iva | 632.92 | |||
| TCMBANKIN005987 | achyranthoside C butyl dimethyl ester_qt | 879.21 | |||
| TCMBANKIN006040 | Rubrosterone | rubrosterone | C19H26O5 | 334.41 | CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2=O)O |
| TCMBANKIN006077 | achyranthoside D | C53H82O25 | 1119.2 | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC(C(C(=O)O)O)OCC(=O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C | |
| TCMBANKIN006089 | lycopodine | C16H25NO | 247.38 g/mol | CC1CC2CC(=O)C3CCCN4C3(C1)C2CCC4 | |
| TCMBANKIN006849 | stachysterone A | C27H42O6 | 462.62 | CC12CCC(C1=CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C(C)(C(CCC(C)(C)O)O)O | |
| TCMBANKIN007576 | 18-(β-D-Oxy glucose)-28-Oxo-12-oleanolic acid-3β-3-O-(β-D-glucose)-β-D-glucuronic acid methylester | 971.27 | |||
| TCMBANKIN008101 | tetradecanoic acid | SCHEMBL136610; A830197 | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O |
| TCMBANKIN008320 | achyranthoside E dimethyl ester_qt | 793.06 | |||
| TCMBANKIN008401 | achybidensaponin,i_qt | 648.92 | |||
| TCMBANKIN009204 | achyranthoside D trimethyl ester_qt | achyranthoside C trimethyl ester_qt; 28-deglucosyl achyranthoside D methyl ester_qt | 837.12 | ||
| TCMBANKIN009473 | 3-O-β-D-glucuronopyranoside-6-O-methyl ester | 646.95 | |||
| TCMBANKIN009497 | achyranthoside E butyl dimethyl ester | 1011.34 | |||
| TCMBANKIN009874 | geniposide_qt | C17H24O10 | 388.37 | ||
| TCMBANKIN009948 | chikusetsusaponin Ⅳa | chikusetsusaponin,iva; chikusetsu saponin V | C48H76O19 | 957.11 | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C |
| TCMBANKIN010230 | achyranthoside E butyl dimethyl ester_qt | 849.18 | |||
| TCMBANKIN010535 | achyranthoside E_qt | 765 | |||
| TCMBANKIN010658 | 2-Ethylhexenal | EINECS 211-448-3; InChI=1/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3/b8-6; 2-Ethyl-3-propylacrolein; AIDS-017581; AIDS017581; 2-Ethyl-3-propylacrylaldehyde; 2-Ethyl-2-hexenol; 645-62-5; Acrolein, 2-ethyl-3-propyl-; NSC4787; FR-0969; NSC 4787; WLN: VHY2&U4; 128744-21-8; 2-Ethyl-2-hexenal; (2E)-2-ethylhex-2-enal; alpha-Ethyl-beta-N-propylacrolein; 2-Hexenal, 2-ethyl-; HSDB 1120; 2-Ethylhex-2-enal; AI3-08105; alpha-Ethyl-beta-propylacrolein; (E)-2-ethylhex-2-enal; SBB008156; CCRIS 4645; 2-Ethyl-3-propyl acrolein; .alpha.-Ethyl-.beta.-propylacrolein; 26266-68-2; .alpha.-Ethyl-.beta.-N-propylacrolein; PM 2015; 2-Ethylhex-2-en-1-al; CCRIS 4644; 2-Ethyl-2-hexen-1-al; EINECS 247-571-4; Hexenal, 2-ethyl- | C8H14O | 126.2 | CCCC=C(CC)C=O |
| TCMBANKIN011381 | inokosterone | Callinecdysone A; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1R,2R,5R)-1,2,6-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; C16992; 15130-85-5; Inokosterone; i-nokosterone; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,6R)-2,3,7-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,6R)-2,3,7-trihydroxy-6-methyl-heptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1R,2R,5R)-1,2,6-trihydroxy-1,5-dimethylhexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; 23261-09-8; DTXSID30436277; C08819 | C27H44O7 | 480.6 g/mol | CC(CCC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O)O)CO |
| TCMBANKIN011492 | oleanolic acid 3-O-[β-D-glucuronopyranoside-6-O-methyl ester]-28-O-β-D-glucopyranoside | 809.11 | |||
| TCMBANKIN011581 | oleanolic acid-3-O-β-D-glucuronopyranoside | oleanolic acid3-O-β-D glucurono-pyranoside | 632.92 | ||
| TCMBANKIN012698 | PRZ | Pyrazine, 2-methoxy-3-(2-methylpropyl)-; 2-Methoxy-3-(2-methylpropyl)pyrazine; EINECS 246-402-1; 297666_ALDRICH; 2-Methoxy-3-isobutylpyrazine; Pyrazine, 2-isobutyl-3-methoxy-; 2-ISOBUTYL-3-METHOXYPYRAZINE; W313203_ALDRICH; FEMA No. 3132; 2-isobutyl-3-methoxy-pyrazine; ST5307154; 3-Isobutyl-2-methoxypyrazine; 24683-00-9; ZINC00156517 | C9H14N2O | 166.22 | CC(C)CC1=NC=CN=C1OC |
| TCMBANKIN013374 | pjs-1_qt | 3-Epi-oleanolic acid-28-O-alpha-L-rhamno-pyranosyl-(1-B58666)-beta-D-glucopyranoside | C36H58O8 | 618.84 | |
| TCMBANKIN014703 | D-Galacturonic acid, homopolymer | 25249-06-3; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexanoic acid; EINECS 239-061-5; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid; 11100-11-1; NSC 212542; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-keto-hexanoic acid; EINECS 211-682-6 | C6H10O7 | 194.14 | C(=O)C(C(C(C(C(=O)O)O)O)O)O |
| TCMBANKIN015129 | achyranthoside A trimethyl ester | 997.26 | |||
| TCMBANKIN015475 | clavatol | Lyclavatol; Clavatol; 33044-79-0 | C10H12O3 | 180.2 g/mol | CC1=CC(=C(C(=C1O)C)O)C(=O)C |
| TCMBANKIN015575 | bidentatoside,i | 955.17 | |||
| TCMBANKIN016058 | lycodoline | Ambotz6900-92-1 | C16H25NO2 | 263.37 g/mol | CC1CC2CC(=O)C3CCCN4C3(C1)C2(CCC4)O |
| TCMBANKIN016385 | niuxixinsterone C | 588.81 | |||
| TCMBANKIN017368 | 2-(furan-2-yl)-S-(2,3,4-trihydroxybutyl)-1,4-diazine | ||||
| TCMBANKIN018638 | (2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | (2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | C35H58O6 | 574.83 | |
| TCMBANKIN018687 | N-trans-feruloyl-3-methoxytyramine-4'-O-β-D-glucopyranoside | 505.57 | |||
| TCMBANKIN018728 | alpha-onocerin | (2S,4aR,5S,8aR)-5-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]ethyl}-1,1,4a-trimethyl-6-methylenedecahydronaphthalen-2-ol; MolPort-006-111-540; GESZMTVZGWZBPW-IHIDZKKCSA-; 2-Naphthalenol,5,5'-(1,2-ethanediyl)bis[decahydro-1,1,4a-trimethyl-6-methylene-,(2S,2'S,4aR,4'aR,5S,5'S,8aR,8'aR)-; 8,14-secogammacera-8(26),14(27)-diene-3beta,21alpha-diol; (3beta,21alpha)-8,14-Secogammacera-8(26),14(27)-diene-3,21-diol; ZINC38605938; alpha-Onocerol; α-onocerin; C21734; Alpha-onocerin, primary pharmaceutical reference standard; CHEBI:138303; (2S,4AR,5S,8AR)-5-{2-[(1S,4AR,6S,8AR)-6-HYDROXY-5,5,8A-TRIMETHYL-2-METHYLIDENE-HEXAHYDRO-1H-NAPHTHALEN-1-YL]ETHYL}-1,1,4A-TRIMETHYL-6-METHYLIDENE-HEXAHYDRO-2H-NAPHTHALEN-2-OL; MCULE-4277793393; EINECS 208-118-6; W2391; 511-01-3; InChI=1/C30H50O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h21-26,31-32H,1-2,9-18H2,3-8H3/t21-,22-,23-,24-,25-,26-,29+,30+/m0/s1; alpha-Onocerin; SC-97924; (+)-alpha-onocerin | C30H50O2 | 442.7 g/mol | CC1(C2CCC(=C)C(C2(CCC1O)C)CCC3C(=C)CCC4C3(CCC(C4(C)C)O)C)C |
| TCMBANKIN018995 | oleanolic acid 3-O-[β-D-glucuronopyranoside-6-O-ethyl ester]-28-O-β-D-glucopyranoside | 823.14 | |||
| TCMBANKIN019276 | zingibroside r1_qt | C42H66O14 | 794.97 | ||
| TCMBANKIN019462 | chikusetsusaponin Ⅳ | 927.21 | 14.727533 | ||
| TCMBANKIN019568 | achyranthoside A | C48H72O20 | 969.07 | ||
| TCMBANKIN020316 | achyranthoside Ⅱ | 957.24 | 4.770589 | ||
| TCMBANKIN020399 | clavolonine | Clavolonine | C16H25NO2 | 263.37 g/mol | CC1CC23C4CCCN2CCCC3C(=O)CC4C1O |
| TCMBANKIN020507 | 3-O-(β-D-glucose)-oleanolic acid-28-O-(β-D-glucose) | 753.09 | |||
| TCMBANKIN020792 | lycoclavanin | C30H48O5 | 488.7 g/mol | CC1(C(C(CC2(C1C(=O)CC3=CC4(CCC5C(C4CCC32)(CCC(C5(C)CO)O)C)C)C)O)O)C | |
| TCMBANKIN021388 | (6E,10S)-3-isopropylidene-6,10-dimethyl-cyclodec-6-ene-1,4-quinone | (6E,10S)-3-isopropylidene-6,10-dimethylcyclodec-6-ene-1,4-dione; (6E,10S)-6,10-dimethyl-3-propan-2-ylidene-cyclodec-6-ene-1,4-dione; (6E,10S)-3-isopropylidene-6,10-dimethyl-cyclodec-6-ene-1,4-dione; (6E,10S)-6,10-dimethyl-3-propan-2-ylidenecyclodec-6-ene-1,4-dione | 234.37 | ||
| TCMBANKIN021469 | achyranthoside C dimethyl ester_qt | 823.09 | |||
| TCMBANKIN021471 | niuxixinsterone B | 570.79 | |||
| TCMBANKIN021540 | 3-O-(β-D-glucopyranosiduronic acid) oleanolic acid | oleanolic acid-3-O-β-D-(6'-methyl)-glucuronopyranoside | 646.95 | ||
| TCMBANKIN021640 | ginsenoside Ro_qt | chikusetsusaponin Ⅳ_qt; chikusetsusaponinⅤ_qt; ginsenoside- Ro_qt; (3b)-3-hydroxy-Olean-12-en-28-oic acid, monosodium salt; Ginsenoside-R0_qt | C47H74O18 | 927.08 | |
| TCMBANKIN022121 | 28-deglucosyl-chikusetsusaponin,iva_qt | 456.78 | |||
| TCMBANKIN022306 | stachysterone D | C27H42O6 | 462.62 | CC1(CCC(O1)C(C)(C2CCC3(C2(CCC4C3=CC(=O)C5C4(CC(C(C5)O)O)C)C)O)O)C | |
| TCMBANKIN022346 | achyranthoside E dimethyl ester | 955.22 | |||
| TCMBANKIN022432 | achyranthoside C dimethyl ester | 985.25 | |||
| TCMBANKIN022980 | caprylic acid | Octanoic acid (mixed isomers); AK405365; octoic acid; Sodium octanoate, 96%; Natrium octanoat; D05220; NoO notEa AAENI; W279927_ALDRICH; Sodium caprylate [NF]; KB-80641; ACMC-1BO0W; MCULE-8227046407; AIDS-006110; Caprylsaeure; V0353; Octylic acid; Enantic acid; Caprylic acid sodium salt; Sodium n-octanoate; Sodium octoate; Octanoic acid sodium salt; 68937-74-6; MolPort-006-113-836; EINECS 273-085-7; C-8 acid; 21639_FLUKA; HSDB 5862; AIDS006110; NCGC00090957-02; 0ctanoic acid; BYKRNSHANADUFY-UHFFFAOYSA-M; Acid C-8; caprylic acid, sodium salt; 124-07-2; Acido octanoico [Spanish]; Sodium octanoate, 96% 100g; Octic acid; 124-07-2 (Parent); W279900_ALDRICH; KS-00000YJH; capryloate; Sodium caprylate: Octanoic acid; NCGC00090957-01; Acide octanoique [French]; Sodium caprylate (NF); O0034; UNII-9XTM81VK2B; LS-98001; 18312-04-4; neo-fat 8; OCTANOIC ACID (CAPRYLIC ACID); SODIUM OCTANOATE; 1-heptanecarboxylic acid; NCIOpen2_009358; LS-691; O3907_ALDRICH; 1984/6/1; CHEBI:132100; MFCD00058511; AN-19785; ANW-13619; NCIOpen2_002902; octanoic acid; C2875_SIGMA; I14-14709; TR-009215; Caprylic acid (natural); NSC 5024; CHEBI:28837; Octanoic acid [USAN:INN]; LMFA01010008; n-octylic acid; TRA-0206488; Fatty acids, C6-1O; FEMA No. 2799; BRN 1747180; 4-02-00-00982 (Beilstein Handbook Reference); 9XTM81VK2B; EINECS 204-677-5; CHEMBL557076; Octanoic acid, sodium salt; EINECS 217-850-5; ST51037190; KSC490S9T; caprylic acid ; NSC5024; AI3-50473; SCHEMBL56211; Sodium Salt of Caprylic Acid; Octanoic acid (USAN); Hexacid 898; CH3-[CH2]6-COOH; Sodium caprylate; Sodium caprylate [USAN]; RTR-009215; 27633_RIEDEL; Kaprylsaeure; C06423; Fatty acids, C6-10; caprylicacid; Acidum octanocium [Latin]; HSDB 821; AI3-04162; Kyselina kaprylova [Czech]; n-octanoic acid; FT-0701289; n-caprylic acid; AS-17478; CCRIS 4689; PubChem12870; 21650_FLUKA; n-Octoic acid; W-109735; CTK3J0999; AKOS015901906; OCA; Octansaeure; SC-79959; n-Octanoic Acid Sodium Salt; WLN: QV7; CPD-195; Octanoic acid, sodium salt (1:1); DTXSID3027451; D08999 | C8H16O2 | 144.21 g/mol | CCCCCCCC(=O)O |
| TCMBANKIN022990 | hederagenin-28-O-β-D-glucopyranosyl ester | 634.94 | |||
| TCMBANKIN023685 | 3-O-(β-D-glucuronic acid)-oleanolic acid-28-O-(β-D-glucose) | 767.07 | |||
| TCMBANKIN023796 | 3-O-β-D-glucopyranosyl-α-spinalsterol | 574.93 | |||
| TCMBANKIN024455 | bidentatoside,i_qt | 793.01 | |||
| TCMBANKIN024627 | (3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8a-diol | 428.77 | |||
| TCMBANKIN024777 | beta-daucosterol_qt | beta-daucosterol,_qt | 414.79 | ||
| TCMBANKIN025074 | oct-1-en-2-ol | C8H16O | 128.21 | CCCCCCC(=C)O | |
| TCMBANKIN025100 | achyranthoside C trimethyl ester | 999.28 | |||
| TCMBANKIN025147 | Rubschisantherin | rubschisantherin | C25H30O8 | 458.5 | CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1C)OC(=O)C)OC)OC)OC)OC)OCO3 |
| TCMBANKIN025810 | deglucose chikusetsusaponin Iva_qt | 456.78 | |||
| TCMBANKIN027148 | smilagenin | EINECS 204-775-8; CHEBI:28933; (25R)-Spirostane-3beta-ol; C08913; 5beta-Spirostan-3beta-ol, (25R)- (8CI); (25R)-Spirostan-3.beta.-ol; Isosarsasapogenin; Spirostan-3-ol, (3.beta.,5.beta.,25R)-; Spirostan-3-ol, (3beta,5beta,25R)- (9CI); NSC93747; NSC 93747; (25R)-5beta-Spirostan-3beta-ol; SMP1_000275; SCHEMBL180193; AI3-44895; Isosarsapogenin; (25R)-Spirostan-3beta-ol; 126-18-1; Smilagenin; 5.beta.-Spirostan-3.beta.-ol, (25R)- | C27H44O3 | 416.6 g/mol | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1 |
| TCMBANKIN027212 | achyranthesterone A | 496.71 | |||
| TCMBANKIN027323 | achyranthoside D trimethyl ester | 1161.44 | |||
| TCMBANKIN027369 | achyranthoside E trimethyl ester | 969.25 | |||
| TCMBANKIN028020 | chikusetsusaponin I | C42H72O13 | 785.01 | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C(C)(CCC=C(C)C)O)C)O)C6(C3C(C(CC6)O)(C)C)C)C)CO)O)O)O)O)O | |
| TCMBANKIN028370 | (R)-Allantoin | CHEBI:15677; InChI=1/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11; [(4R)-2,5-diketoimidazolidin-4-yl]urea; (R)(-)-Allantoin; C02348; N-[(4R)-2,5-dioxoimidazolidin-4-yl]urea; [(4R)-2,5-dioxo-4-imidazolidinyl]urea; (R)-(-)-allantoin; ZINC00901026; urea, N-(2,5-dioxo-4-imidazolidinyl)-; [(4R)-2,5-dioxoimidazolidin-4-yl]urea | C4H6N4O3 | 158.12 | C1(C(=O)NC(=O)N1)NC(=O)N |
| TCMBANKIN028494 | lucidoline | ||||
| TCMBANKIN028902 | achybidensaponin,i | 957.24 | |||
| TCMBANKIN029195 | oleanolic acid-3-O-β-D-(6'-butyl)-glucuronopyranoside | 689.04 | |||
| TCMBANKIN030268 | obscurine | C24H31NO3 | 381.5 g/mol | CC(C)CNC(=O)C=CC1C2CCCCC2C=CC1C3=CC4=C(C=C3)OCO4 | |
| TCMBANKIN030302 | niuxixinsterone A | 602.84 | |||
| TCMBANKIN030854 | neoketose | ||||
| TCMBANKIN031251 | phlegmariurine | C16H23NO2 | 261.36 g/mol | CC1CC2CC(=O)C3=C2CCCN(CCC3)C(=O)C1 | |
| TCMBANKIN031620 | achyranthoside Ⅱ_qt | achyranthoside I_qt | 795.08 | ||
| TCMBANKIN031821 | achybidensaponin,ii | 809.06 | |||
| TCMBANKIN031971 | pent-3-en-2-one | BRN 1633505; (E)-pent-3-en-2-one; ZINC05227717; (3E)-pent-3-en-2-one; NSC 61468; 3-penten-2-one, (3E)-; AI3-37794; FEMA No. 3417; W341703_ALDRICH; 3-PENTEN-2-ONE (TRANS); 3-Penten-2-one, (E)-; 145017_ALDRICH; 3-01-00-02985 (Beilstein Handbook Reference); EINECS 210-888-3; InChI=1/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3; 3102-33-8; (E)-3-Penten-2-one; 77042_FLUKA | C5H8O | 84.12 | CC=CC(=O)C |
| TCMBANKIN031979 | clavatine | C16H25NO2 | CC1CC2CC(=O)C3(CCCN4C3(C1)C2CCC4)O | ||
| TCMBANKIN032575 | achyranthoside E trimethyl ester_qt | 807.09 | |||
| TCMBANKIN033880 | bidentatoside,ii | C40H62O13 | 750.91 | ||
| TCMBANKIN034198 | acetic acid | AI3-02394; NSC132953; Azijnzuur [Dutch]; Acido acetico [Italian]; Essigsaeure [German]; InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4; Pyroligneous acid; CARBOXYMETHYL GROUP; Caswell No. 003; 45727_FLUKA; A8976_SIAL; A6283_SIAL; 64-19-7; BRN 0506007; 318590_ALDRICH; 45730_FLUKA; 77671-22-8; cellulose diacetate; Acetic acid solution, with more than 10% and less than 50% acid, by mass [UN2790] [Corrosive]; 9035-69-2; 49199_FLUKA; Cellulose diacetate [USAN]; Cellulose, diacetate; FEMA Number 2006; W200611_ALDRICH; CBM; 320099_SIAL; Methanecarboxylic acid; 45726_FLUKA; NCIOpen2_000682; Glacial acetic acid; Acetic acid (JP15/NF); ethanoic acid; 207004-55-5; Otic Tridesilon; 40209_RIEDEL; Acetic acid, propionic acid distillate; NSC406306; 537020_SIAL; 45725_FLUKA; WLN: QV1; LS-2535; Acetic acid, glacial; 27225_RIEDEL; Ethylic acid; AKOS006290339; 07692_FLUKA; ACY; NSC 132953; ACT; 33206_RIEDEL; EPA Pesticide Chemical Code 044001; 380121_SIAL; W200603_ALDRICH; Acetic acid, glacial (USP); ethoic acid; Acetic acid, glacial or acetic acid solution, >80% acid, by mass [UN2789] [Corrosive]; 34254_RIEDEL; 4-02-00-00094 (Beilstein Handbook Reference); 46928_SUPELCO; Acido acetico; C00033; Acetasol (TN); Acetic acid solution, not less than 50% but more than 80% acid, by mass [UN2790] [Corrosive]; Carboxylic acids, C2-3; CHEBI:15366; Acetic acid, of a concentration of more than 10 per cent, by weight, of acetic acid; 45732_FLUKA; Acetic acid [JAN]; Octowy kwas [Polish]; Essigsaeure; Vinegar acid; 242853_SIAL; Glacial acetic acid (JP15); 38050_RIEDEL; A9967_SIAL; LS-1541; 38051_RIEDEL; Kyselina octova [Czech]; ST5213882; Acetate standard for IC; 33209_RIEDEL; UN2790; 40273_RIEDEL; Azijnzuur; Acetic acid solution; Acetic acid (natural); D00010; LMFA01010002; 27218_RIEDEL; Acetic acid, aqueous solution; HSDB 40; 68475-71-8; 34255_RIEDEL; NCIOpen2_000659; 34256_RIEDEL; FEMA No. 2006; CCRIS 5952; Acide acetique; Acetic acid, diluted; Acetasol; Octowy kwas; 71251_FLUKA; 338826_SIAL; EINECS 200-580-7; 13669_FLUKA; Acide acetique [French]; CH3-COOH; 45754_FLUKA; 157090-22-7; Acetic acid, water solutions; UN2789 | C5H10O3 | 118.13 | CC(=O)NCCC1=CN(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl |
| TCMBANKIN035137 | (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[oxo-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]methyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-di | (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(; (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydrox; (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R | C48H76O19 | 957.11 | |
| TCMBANKIN035514 | achybidensaponin,ii_qt | 456.78 | |||
| TCMBANKIN035912 | 2-Octenal, 2-butyl- | (Z)-2-butyloct-2-enal | C12H22O | 182.3 | CCCCCC=C(CCCC)C=O |
| TCMBANKIN035947 | Ecdysterone-3-O-beta-D-glucopyranoside_qt | 466.68 | |||
| TCMBANKIN036101 | Chikusetsusaponin V butyl ester | 1013.36 | |||
| TCMBANKIN036815 | berberine | berberine ; isoquinoline alkaloid | C20H18NO4 | 337 | C12=N(C([H])([H])C([H])([H])c(c([H])c(OC([H])([H])O3)c3c4[H])c14)C([H])=C(C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C5[H])C5=C2[H] |
| TCMBANKIN036816 | baicalin | 21967-41-9; STOCK1N-21299; (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid; (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid; 5,6,7-Trihydroxyflavone-7-O-.beta.-D-glucopyranosideuronic acid; C10025; Baicalin; AIDS001402; 100647-26-5; 7-D-Glucuronic acid-5,6-dihydroxyflavone; 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid; 31564-28-0; (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-keto-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid; Baicalein-7-D-glucuronide; TJN-151; CHEBI:2981; (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid; beta-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl; LMPK12111081; baicalin ; 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid; Baicalein 7-O-glucuronide; 27462-75-5; Baicalein 7-glucuronide; AIDS-001402; (2S,3S,4S,5R,6S)-6-[(5,6-dihydroxy-4-oxo-2-phenyl-7-chromenyl)oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid; 572667_ALDRICH | C21H18O11 | 446.36 | C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O |
| TCMBANKIN036835 | wogonin | CTK5B8471; AIDS-001403; CCG-208499; ZB015158; 5,7-dihydroxy-8-methoxyflavone; ZINC899093; 5,7-dihydroxy-8-methoxy-2-phenyl-chromone; BG01576594; AN-46964; 632-85-9; V1530; MCULE-9854289767; 5,7-dihydroxy-8-methoxy-2-phenyl-4-chromenone; Vogonin; AIDS001403; NSC717845; SC-25044; 10-29-7; AC1NQYXJ; 5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one(Wogonin); NCGC00247464-01; IN1943; ZINC111327191; BN0711; 4H-1-Benzopyran-4-one,5,7-dihydroxy-8-methoxy-2-phenyl-; s4743; SR-05000002216-2; Norwogonin 8-methyl ether; 5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one; 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one; HY-N0400; BDBM50140257; MFCD12828871; ST077088; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-methoxy-2-phenyl-; DTXSID70212557; 5,7-dihydroxy-8-methoxy-2-phenyl-chromen-4-one; 632W859; MFCD00017736; CHEBI:10043; 5,7-dihydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one; BRN 0287152; Wogonin; N1283; SCHEMBL139083; LMPK12111330; I14-8669; NCI60_040649; HMS2270G08; FT-0603499; wagonin; 5-18-04-00571 (Beilstein Handbook Reference); Q-100730; MolPort-001-742-489; SMR001397111; POK93PO28W; AC-20338; MLS002473006; SR-05000002216; CS-3959; CHEMBL16171; D00MXS; 4CN-1056; wogonin ; AKOS015917860; UNII-POK93PO28W; TR-021802; NSC-717845; C-17890; LS-68974; 5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one; FLAVONE, 5,7-DIHYDROXY-8-METHOXY-; XLTFNNCXVBYBSX-UHFFFAOYSA-N; C10197; GP7400; 5,7-Dihydroxy-8-methoxyflavone | C16H12O5 | 284.26 | COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O |
| TCMBANKIN036875 | geniposide | AKOS015965362; Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, (1S,4aS,7aS)-; 27745-20-6; Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, (1S-(1alpha,4aalpha,7aalpha))-; ZINC03882101; 24512-63-8; Geniposide; (1S,4aS,7aS)-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; AC-20245; C09781; methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; (1S,4aS,7aS)-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester | C17H24O10 | 388.366 | [C@]1([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O2)OC([H])=C(C(OC([H])([H])[H])=O)[C@@]([H])(C([H])([H])C([H])=C3C([H])([H])O[H])[C@]13[H] |
| TCMBANKIN036882 | coptisine | Y0053; BDBM50030257; C19H14NO4; UNII-0GCL71VN14; AK198733; HSDB 8323; CHEMBL362071; Coptisine sulfate; 6020-18-4 (chloride); DTXSID10188404; XYHOBCMEDLZUMP-UHFFFAOYSA-N; AC1Q701I; Coptisine; alkaloid; C16938; HY-N0430; N1737; Bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium,6,7-dihydro-; 1198398-71-8; 0GCL71VN14; MEGxp0_001731; N2494; Q-100421; LS-44700; AC1L2HUS; KPT; CHEBI:67862; bis[methylenedioxy]protoberberine; I14-18844; NCI60_000465; 6,7-Dihydro[1,3]dioxolo[4,5-G][1,3]dioxolo[7,8]isoquino[3,2-A]isoquinolin-5-Ium; FT-0689356; FT-0645075; ZINC1709414; 3486-66-6; 7,8,13,13a-Tetradehydro-2,3-9,10-bis(methylenedioxy)berbinium; AKOS015903291; Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizinium, 6,7-dihydro-; Coptisin; SCHEMBL156866; Bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium, 6,7-dihydro-; 348C666; MolPort-020-005-796 | C19H14NO4 | 321 | c12c(OC([H])([H])O1)c([H])c3c(C([H])([H])C([H])([H])N(C([H])=C(C([H])=C(OC([H])([H])O4)C4=C5[H])C5=C6[H])=C36)c2[H] |
| TCMBANKIN036901 | myristic acid | 1-Tridecanecarboxylic acid; Myristinsaeure; CH3-[CH2]12-COOH; 70079_FLUKA; AI3-15381; LMFA01010014; CH3-[CH2]12-COO(-); NCGC00091068-02; Myristic acid-[9,10-3H]; C06424; Emery 655; myristic acid ; NSC 5028; 70082_FLUKA; C14 fatty acid; ST023797; W276405_ALDRICH; CCRIS 4724; Kortacid 1499; 3uev; TUNFSRHWOTWDNC-UHFFFAOYSA-M; Tetradecanoic acid; EINECS 250-924-5; n-Tetradecoic acid; 4-02-00-01126 (Beilstein Handbook Reference); Hydrofol acid 1495; MYR; BRN 0508624; Myristate; Myristic acid (natural); Tetradecanoate; LS-190125; Crodacid; Myristic acid (8CI); EINECS 208-875-2; Prifac 2942; Myristic acid; AIDS002505; tetradecoate; W276413_ALDRICH; FEMA No. 2764; HSDB 5686; Philacid 1400; CHEBI:28875; Edenor C 14; n-tetradecoate; 45184-05-2; myristicacid; tetradecoic acid; n-Tetradecanoic acid; M3128_SIGMA; AIDS-002505; Univol U 316S; Lead dimyristate; AC1N2PSK; NCGC00091068-01; neo-Fat 14; NSC5028; Tetradecanoic acid (9CI); Hystrene 9014; Myristic acid, pure; M4792_SIGMA; CHEBI:30807; n-Tetradecan-1-oic acid; WLN: QV13; 1-tetradecanecarboxylate; 32112-52-0; n-tetradecan-1-oate; 544-63-8 | C14H28O2 | 228.371 | C([H])([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| TCMBANKIN037143 | ecdysterone | 2beta,3beta,14alpha,20beta,22,25-Hexahydroxy-7-cholesten-6-one; ZINC04165898; ST5412041; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; AIDS-013374; AIDS013374; CHEMBL1707235; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethylhexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; HMS2225F24; SMR001397251; beta-Ecdysone; (2Beta,3beta,5beta)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one; H5142_SIGMA; 20-Hydroxyecdysone; SCHEMBL19213295; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methyl-heptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; 20-OH ecdysone; Ecdysterone; Insect moulting hormone; 20E; 2,3,14-Trihydroxy-10,13-dimethyl-17-(1,2,5-trihydroxy-1,5-dimethyl-hexyl)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-6-one; MLS002473159; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; (22R)-2beta,3beta,14alpha,20,22,25-hexahydroxy-5beta-cholest-7-en-6-one; 5289-74-7; CHEBI:16587 | C27H44O7 | 481 | [C@@]1([H])(O[H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@@](C([H])([H])[H])(O[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C(O[H])(C([H])([H])[H] )C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]23O[H])C3=C([H])C4=O)[C@@]4([H])C([H])([H])[C@@]1([H])O[H] |
| TCMBANKIN037277 | Oleanolic acid | Olean-12-en-28-oic acid, 3.beta.-hydroxy-; s2334; Caryophyllin; AIDS014809; Giganteumgenin C; SMR000445561; oleanolicacid; (3-beta)-3-Hydroxyolean-12-en-28-oic acid; AIDS-014809; Olean-12-en-28-oic acid, 3-hydroxy-, (3-beta)-; EINECS 208-081-6; NSC 114945; OLEANOLIC ACID; Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-; CCRIS 6493; AS-11663; SCHEMBL1699365; Virgaureagenin B; CHEBI:37659; MLS000697656; (4aS,5S,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid; AKOS022168208; O5504_SIGMA; MolPort-016-633-333; Oleanolic Acid; Olean-12-en-28-oic acid, 3-beta-hydroxy- (8CI); Oleanic acid; 3beta-Hydroxyolean-12-en-28-oic acid; 3-beta-Hydroxyolean-12-en-28-oic acid; ST057162; Olean-12-en-28-oic acid, 3beta-hydroxy- (8CI); NSC114945; Oleanolic Acid (Caryophyllin); Astrantiagenin C; Olean-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-; 508-02-1; (4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4-carboxylic acid; (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; oleanolic acid | C30H48O3 | 457 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(=O)O[H])C([H])([H])C3([H])[H])[C@@]34C( [H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H] |
| TCMBANKIN037643 | achyranthoside II | C41H62O15 | 795 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(O[H])=O)C([H])([H])C3([H])[H])[C@@]34C( [H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[C@]([H])(O[C@]([H])(C(O[H])=O)[C@@]6([H])O[H])[C@]([H])(O[H])[C@@]6([H])O[C@]([H])(OC( [H])([H])C(O[H])=O)[C@]([H])(C(O[H])=O)O[H] | |
| TCMBANKIN037682 | chikusetsusaponin IVa methyl ester | methyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy; rel-1-O-{(3beta,5xi,9xi)-3-[(6-methyl-beta-D-glucopyranuronosyl)oxy]-28-oxoolean-12-en-28-yl}-beta-D-glucopyranose; beta-D-glucopyranose, 1-O-[(3beta,5xi,9xi)-3-[(6-methyl-beta-D-glucopyranuronosyl)oxy]-28-oxoolean-12-en-28-yl]-; 6-[4,4,6a,6b,11,11,14b-Heptamethyl-8a-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxycarbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydro-picen-3-yloxy]-3,4,5-trihydroxy-tetrahydro-pyran-2-carboxylic acid methyl ester; InChI=1/C43H68O14/c1-38(2)15-17-43(37(52)57-35-31(49)28(46)27(45)23(20-44)54-35)18-16-41(6)21(22(43)19-38)9-10-25-40(5)13-12-26(39(3,4)24(40)11-14-42(25,41)7)55-36-32(50)29(47)30(48)33(56-36)34(51)53-8/h9,22-33,35-36,44-50H,10-20H2,1-8H3/t22-,23+,24?,25; (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-t; (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[oxo-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]methyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-; methyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5; 3-O-(Methyl-beta-D-glucuronopyranosiduronoate)-28-O-beta-D-glucopyranosyl oleanolate; 58546-61-5 | C43H68O14 | 809 | [C@@]1([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[C@]2([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]3([H])[C@@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@]([H])(C([H])([H])C(C([H])([H]) [H])(C([H])([H])[H])C([H])([H])C4([H])[H])[C@@]4(C(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O5)=O)C([H])([H])C6([H])[H])[C@@]67C([H])([H])[H])[C@@]7(C([H])( [H])[H])C([H])([H])C3([H])[H])C([H])([H])C2([H])[H])O[C@]1([H])C(=O)OC([H])([H])[H] |
| TCMBANKIN038204 | ferulic acid | (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; caffeic acid 3-methyl ether; ferulicacid; A803063; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate; CJ-00500; ZB002373; ferulate; CHEBI:29749; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; 3-Methoxy-4-hydroxy-trans-cinnamate; (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate; Ferulic Acid; AC1NUT2L; ferulic acid | C10H10O4 | 194.18 | COC1=C(C=CC(=C1)C=CC(=O)O)[O-] |
| TCMBANKIN038337 | achyranthoside c | C47H72O20 | 957.06 | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC(C(C(=O)O)O)OCC(=O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C | |
| TCMBANKIN038882 | Spinoside A | acetic acid [(3S,4S,5R,6S)-5-acetoxy-6-[[(8R,9R,10S,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-2-oxohex-3-enyl]-2-hydroxy-4,4,9,13,14-pentamethyl-3-oxo-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxy-3-tetrahydropy; acetic acid [(3S,4S,5R,6S)-5-acetoxy-6-[[(8R,9R,10S,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-2-keto-1,5-dimethyl-hex-3-enyl]-2-hydroxy-3-keto-4,4,9,13,14-pentamethyl-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxy-tetrahydrop; AC1O3E1M; 119626-74-3; C08809; [(3S,5R,6S)-5-acetyloxy-6-[[(8R,9R,10S,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2-hydroxy-4,4,9,13,14-pentamethyl-3-oxo-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxyoxan-3-yl] acetate; [(3S,4S,5R,6S)-5-acetyloxy-6-[[(8R,9R,10S,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2-hydroxy-4,4,9,13,14-pentamethyl-3-oxo-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxyoxan-3-yl] acetate; [(3S,4S,5R,6S)-5-acetoxy-6-[[(8R,9R,10S,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2-hydroxy-4,4,9,13,14-pentamethyl-3-oxo-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxy-tetrahydropyran-3-yl] ace; spinoside a; [(3S,4S,5R,6S)-5-acetyloxy-6-[[(8R,9R,10S,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxo-hept-4-en-2-yl]-2-hydroxy-4,4,9,13,14-pentamethyl-3-oxo-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxy-oxan-3-yl] ethanoate | 164.16 | ||
| TCMBANKIN039554 | hexanoic acid | (C6-C12) Alkylcarboxylic acid; n-Hexoic acid; BRN 0773837; Hexanoyl DL-carnitine; AC1O52RE; hexanoicacid; 142-62-1; Hexanoic acid (natural); n-Hexanoic acid; CCRIS 1347; Hexacid 698; 153745_ALDRICH; Hexanoic acid; 13476-79-4; 8040-17-3; 51109-46-7; AI3-07701; WLN: QV5; VVPRQWTYSNDTEA-UHFFFAOYSA-N; 19455-00-6; (C5-C9) Monobasic acids; Pentylformic acid; Hexanoyl-d,l-carnitine; Capronic acid; Butylacetic acid; Kyselina kapronova [Czech]; 4-02-00-00917 (Beilstein Handbook Reference); C01585; 1-Pentanecarboxylic acid; UN2829; 3-hexanoyloxy-4-(trimethylazaniumyl)butanoate; Fatty acids, C6-12; (C6-C12)Alkylcarboxylic acid; W255912_ALDRICH; NSC8266; CAPROIC ACID; CH3-[CH2]4-COOH; LMFA01010006; HEXANOIC ACID (CAPROIC ACID); n-Caproic acid; EINECS 267-013-3; CHEBI:30776; Hexanoylcarnitine; 68603-84-9; 70248-25-8; 21529_FLUKA; HSDB 6813; 3-(hexanoyloxy)-4-(trimethylazaniumyl)butanoate; Carboxylic acids, C5-9; NSC 8266; NCIOpen2_005355; LMFA07070070; 1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxohexyl)oxy]-, chloride (1:1); EINECS 205-550-7; SCHEMBL235082; 1-Hexanoic acid; Pentanecarboxylic acid; Acid C-6; Carboxylic acids, C6-18 and C6-18-unsatd. mono- and C8-15-di-; H12137_ALDRICH; W255904_ALDRICH; 16571-42-9; Hexylic acid; AIDS212980; Caproic acid [UN2829] [Corrosive]; FEMA No. 2559; 67762-36-1; n-Hexylic acid; Hexoic acid; Pentiformic acid; EINECS 274-509-3; 6418-78-6; AIDS-212980; 53896-26-7; CTK4C6070; EINECS 271-676-4; Hexanoic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt; CHEBI:70749; InChI=1/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8; O-hexanoylcarnitine; 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxohexyl)oxy]-, inner salt; 3-(hexanoyloxy)-4-(trimethylammonio)butanoate | C6H12O2 | 116.158 | C(O[H])(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| TCMBANKIN039723 | bidentatoside I | C47H70O19 | 939 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(O[C@@]3([H])O[C@]([H])(C([H])([H])O[H]) [C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])=O)C([H])([H])C4([H])[H])[C@@]45C([H])([H])[H])[C@@]5(C([H])([H])[H])C([H])([H])C6([H])[H])[C@@]6([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[C@]([ H])(O[C@]([H])(C(O[H])=O)[C@@]7([H])O[H])[C@]([H])(O[C@]([H])(OC([H])([H])C(O[H])=O)[C@](C(O[H])=O)([H])O8)[C@]78[H] | |
| TCMBANKIN040624 | zingibroside r1 | C42H66O14 | 794.97 | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)O)C | |
| TCMBANKIN040747 | Epiberberine | SMR000232286; AK199153; BDBM50986; 16,17-DIMETHOXY-5,7-DIOXA-1??-AZAPENTACYCLO[11.8.0.0_,__.0?,?.0_?,_?]HENICOSA-1(13),2,4(8),9,11,14(19),15,17-OCTAEN-1-YLIUM; SC-81909; ZINC6017816; CTK5C8375; FT-0688286; Epiberberine; DTXSID90218854; 16,17-DIMETHOXY-5,7-DIOXA-1??-AZAPENTACYCLO[11.8.0.0(3),(1)(1).0?,?.0(1)?,(1)?]HENICOSA-1(13),2,4(8),9,11,14(19),15,17-OCTAEN-1-YLIUM; MolPort-039-052-346; HMS3358O04; AKOS025149077; GNF-Pf-2355; 8,9-Dimethoxy-11,12-dihydro-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinolin-13-ium; epiberberine ; NCGC00247623-01; CHEMBL1197637; N2453; HMS2229E04; 6873/9/2; MLS000563434; Benz(a)-1,3-benzodioxolo(4,5-g)quinolizinium, 11,12-dihydro-8,9-dimethoxy-; AC1L4ODP; HY-N0226; cid_160876; AC1Q701H | 337 | ||
| TCMBANKIN040797 | azelaic acid | 8-carboxylatooctanoate; CJ-24076; 9-oxido-9-oxononanoate; AC1MWLWR; azelaate(2-); azelaicacid; 8-Carboxyoctanoate; CHEBI:78208; nonanedioate(2-); azelate; nonanedioate; azelaate; A805183 | C9H16O4 | 188.221 | C([H])([H])(C(O[H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=O |
| TCMBANKIN041272 | stearic acid | 4-02-00-01206 (Beilstein Handbook Reference); AIDS-049230; Emersol 871; 8039-52-9; 126539-56-8; stearic acid, ion(1-); D00119; octadecoic acid; Hydrofol Acid 150 (VAN); 134503-33-6; Fatty acids C16-18; 68937-76-8; Kam 2000; VLZ 200; Lunac S 98; Glycon S-80; Hy-phi 1205; Lunac YA; Pristerene 9429; Pristerene 4900; Octadecanoic acid (9CI); Hystrene 9718NF; Edenor FHTI; Cetylacetic acid; NAA 173; NSC 25956; Lunac S 90; S 30C S 30C (fatty acid); Neo-Fat 18-61; Dar-chem 14; NSC25956; Edenor HT-JG 60; Octadecanoate; 57485-56-0; Oktadekansaeure; S 300 (fatty acid); Unister NAA 180; Industrene 5016; Prisorine 3508; Hydrofol Acid 150; Hystrene 4516; G 270; Stearic Acid Cherry; Century 1230; 822-16-2 (SODIUM SALT); NCGC00091596-02; Glycon S-90; 85404-83-7; NCGC00091596-01; Stearic acid (JP15/NF); Hystrene 5016; Hy-phi 1303; Glycon S-70; C01530; Octadecansaeure; Neo-Fat 18-55; WO 2 (fatty acid); Pristerene 9559; SA 200; Century 1240; Stearic acid, pure; Sunfat 18S; WO 2; CHEBI:28842; Industrene 5016K; LS-2392; Kam 3000; BRN 0608585; Edenor ST 20; AIDS049230; Lunac 30; EINECS 273-087-8; Emersol 150; 175366_SIAL; 8039-54-1; Fatty acids, C16-20; stearicacid; Stearic acid ion(1-)salt; Stearic acid (8CI); Stearinsaeure; Emersol 153NF; Hydrofol acid 1855; 57-11-4; Lunac S 30; Hystrene T 70; Prisorine 3501; Haimaric MKH(R); Stearex Beads; Groco 55; Hystrene S-97; Neo-Fat 18-54; W303518_ALDRICH; Hydrofol acid 1655; Nonsoul SN 1 (*Sodium salt*); EINECS 200-313-4; 39390-61-9; Emersol 120; EPA Pesticide Chemical Code 079082; Lunac S 20; Octadecanoic acid, ion(1-); 8013-28-3; AI3-00909; Kortacid 1895; FEMA No. 3035; Hystrene S 97; 82497-27-6; Tegostearic 254; SNA-2000 (*Sodium salt*); 1-Heptadecanecarboxylic acid; AC1MHWEJ; STL280244; 27405_RIEDEL; Steric acid; Industrene 9018; Glycon dp; F 3 (lubricant); Hy-phi 1401; Lunac S 50; Emersol 132; Stearic acid, ion(1-) (8CI); CH3-[CH2]16-COO(-); acide octadecanoique; Groco 55l; 73297_FLUKA; Serfax MT 90; Stearic acid [USAN:JAN]; 8039-51-8; acide stearique; Kam 1000; Acidum stearinicul; InChI=1/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; 8039-53-0; 17FA; Stearophanic acid; 8037-83-0; Hystrene 7018; FA 1655; Prisorine 3502; Nonsoul SK 1; Hydrofol Acid 1895; Lunac S 40; Stearic acid 50; 8023-06-1; 85679_FLUKA; HSDB 2000; n-Octadecanoate; 400JB9103-88; Glycon tp; Unimac 5680; Loxiol G 20; Stearate; 875D; Octadecanoic acid; Neo-Fat 18-53; octadecanoate (n-C18:0); Radiacid 0427; Emery 871; Vanicol; Vis-Plus; PD 185; EINECS 250-178-0; AKOS022105769; 646-29-7; Edenor ST 1; S 300; Caswell No. 801D; Selosol 920; Tegostearic 272; Isostearic acid EX; A 1760; WLN: QV17; Stearic acid (TN); Pearl stearic; 609343-71-7; Palmitic acid - stearic acid mixture; Emersol 875; Industrene 8718; Hystrene 9718NFFG; NCGC00164255-02; ST023799; LMFA01010018; Groco 54; Edenor C18; Hystrene T-70; Hy-phi 1199; CTK8J8420; n-Octadecanoic acid; Groco 58; Pristerene 4963; Formula 300; AFCO-Chem B 65; CCRIS 2305; Industrene R; Century 1220; S4751_SIGMA; Neo-Fat 18; 58392-66-8; Barolub FTA; Hystrene 9718; CH3-[CH2]16-COOH; STE; 8037-40-9; 30399-84-9; Lunac S 90KC; Hydrofol 1895; Emery 875D; Century 1210; QIQXTHQIDYTFRH-UHFFFAOYSA-M; Neo-Fat 18-59; LS-1388; Groco 59; Humko Industrene R; Hystrene 80; Adeka Fatty Acid SA 910; Stearic acid; Prifac 2918; Emersol 6349; Edenor C 18/98; 3uex; LS-97707; CHEBI:25629; Neo-Fat 18-S; Stearic acid - palmitic acid mixture; Tegostearic 255; C-Lube 10 | C18H36O2 | 284 | C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])= O |
| TCMBANKIN041527 | Chrysophanol-8-O-beta-D-(6'-O-galloyl)-glucopyranoside | [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(8-hydroxy-6-methyl-9,10-dioxo-1-anthryl)oxy]tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate; 3,4,5-trihydroxybenzoic acid [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(8-hydroxy-6-methyl-9,10-dioxo-1-anthryl)oxy]-2-tetrahydropyranyl]methyl ester; [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(8-hydroxy-6-methyl-9,10-dioxo-anthracen-1-yl)oxy-oxan-2-yl]methyl 3,4,5-trihydroxybenzoate; Chrysophanol 8-(6-O-galloyl-beta-D-glucopyranoside); [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(8-hydroxy-6-methyl-9,10-dioxoanthracen-1-yl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate; 3,4,5-trihydroxybenzoic acid [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(8-hydroxy-9,10-diketo-6-methyl-1-anthryl)oxy]tetrahydropyran-2-yl]methyl ester; chrysophanol-8-o-beta-d-(6'-o-galloyl)-glucopyranoside; AC1NSTKE; CHEMBL109609 | C28H24O13 | 568.5 g/mol | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3OC4C(C(C(C(O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O |
| TCMBANKIN042199 | PJS-1 | C36H58O8 | 619 | C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(=O)O[C@]([H])(O[C@]([H])(C([H])([H])O[ H])[C@@]3([H])O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])([H])C4([H])[H])[C@@]45C([H])([H])[H])[C@@]5(C([H])([H])[H])C([H])([H])C6([H])[H])[C@@]6([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])O[H] | |
| TCMBANKIN043770 | achyranthoside E | C46H72O18 | 913 | [C@@]1([H])(OC(=O)[C@]2([C@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])C(=C([H])C([H])([H])[C@@]([H])([C@@]3(C([H])([H])[H])C([H])([H])C4([H])[H])[C@@](C([H])([H])[H])(C([ H])([H])C5([H])[H])[C@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]5([H])O[C@@]([C@]([H])(C(O[H])=O)OC([H])([H])C(O[H])=O)([C@@]([H])([C@@]([H])(C([H])([H])O[H])O[C@@]6([H])O[H])O[H])[C@@]6([H])O[H])[ C@]37C([H])([H])[H])C([H])([H])C7([H])[H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] | |
| TCMBANKIN044580 | Fawcettiine | C18H29NO3 | C1([H])([H])C([H])([H])[C@]([H])([C@@]([H])([C@@]([H])(O[H])[C@@]([H])(C([H])([H])[H])C2([H])[H])C([H])([H])[C@@]3([H])OC(C([H])([H])[H])=O)[C@]2([C@]3([H])C([H])([H])C([H])([H])C4([H])[H])N4C1([H])[H ] | ||
| TCMBANKIN045057 | Inophyllum E | inophyllum e; AIDS005832; Inophyllolide; AIDS-005832 | 402.44 | ||
| TCMBANKIN046044 | di-m-butyl uralsaponin a esters | ||||
| TCMBANKIN047069 | Bidentatoside II | 719 | |||
| TCMBANKIN049036 | Chikusetsusaponin V methyl ester | chikusetsu saponin v methyl ester | C49H78O19 | 971.13 | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)OC)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C |
| TCMBANKIN050457 | Ecdysterone-3-O-beta-D-glucopyranoside | AC1NSV0K; ecdysterone-3-o-beta-d-glucopyranoside; 2,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-(1,2,5-trihydroxy-5-methylhexyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; ecdysterone-3-o-β-d-glucopyranoside | 628.84 | CC12CCC3C(=CC(=O)C4C3(CC(C(C4)OC5C(C(C(C(O5)CO)O)O)O)O)C)C1(CCC2C(C(CCC(C)(C)O)O)O)O | |
| TCMBANKIN057924 | l-aspargine | L-Asn; L-asparatamine; (2S)-2-azaniumyl-3-carbamoylpropanoate; CJ-24207; (2S)-4-amino-2-azaniumyl-4-oxobutanoate; CHEBI:58048; L-beta-asparagine; (2S)-2-azaniumyl-4-azanyl-4-oxidanylidene-butanoate; L-asparagine zwitterion; A820795; (2S)-2-ammonio-3-carbamoylpropanoate; A836895; asparagine; (2S)-4-amino-2-ammonio-4-oxobutanoate;asparagine;L-Asn; L-asparatamine; (2S)-2-azaniumyl-3-carbamoylpropanoate; CJ-24207; (2S)-4-amino-2-azaniumyl-4-oxobutanoate; CHEBI:58048; L-beta-asparagine; (2S)-2-azaniumyl-4-azanyl-4-oxidanylidene-butanoate; L-asparagine zwitterion; A820795; (2S)-2-ammonio-3-carbamoylpropanoate; A836895; (2S)-4-amino-2-ammonio-4-oxobutanoate | C4H8N2O3 | 132.12 g/mol | C(C(C(=O)[O-])[NH3+])C(=O)N |
| TCMBANKIN057926 | asparamide | 69833-18-7; BG01499101; L-Asparagine Monohydrate; ACMC-1B5BG; TRA0047172; AN-37801; CTK5D1417; 3130-87-8; DL-Asparagine monohydrate, >=99.0% (NT); DL-Asparaginemonohydrate; AM20090442; VC30810; AK-44638; C4H8N2O3.H2O; FT-0625440; D-(-)-Asparagine monohydrate; RBMGJIZCEWRQES-UHFFFAOYSA-N; DL-Asparagine monohydrate; D-alpha-Aminosuccinamic Acid; EN300-71864; ACMC-209fc6; FT-0609962; A814724; Dl-Asparagine Hydrate; D,L-Asn.H2O; ACMC-209m1g; AC-24125; ST50824199; asparagin hydrate; (+/-)-2-Aminosuccinic acid 4-amide, DL-Aspartic acid 4-amide; RTR-013321; 2,4-diamino-4-oxobutanoic acid hydrate; ASPARAGINE HYDRATE; AN-947; AC1LAWTA; AS-12270; 2,4-bis(azanyl)-4-oxidanylidene-butanoic acid hydrate; 2-amino-3-carbamoylpropanoic acid, hydrate; H-DL-Asn-OH; SBB058664; KS-00000KIH; ANW-27079; MFCD00151039; MolPort-001-766-703; KB-164589; Asparagine, d-l-, monohydrate; Asparagine, monohydrate(9CI); 2-amino-3-carbamoylpropanoic acid hydrate; 2,4-diamino-4-oxobutanoic acid;hydrate; AK319289; KB-50279; ST2419262; SCHEMBL50254; I04-0293; AC1Q59B4; 2,4-diamino-4-oxo-butanoic acid hydrate; TRA0016947; AKOS016001349 | C4H8N2O3 | 132.12 g/mol | C(C(C(=O)O)N)C(=O)N |
| TCMBANKIN057963 | succinic acid | NCGC00159372-02; AIDS017693; Bernsteinsaure; succ; nchembio856-comp9; SIN; Butanedioic acid diammonium salt; InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8; Bernsteinsaeure; ST5213944; nchembio.2007.47-comp2; 4-02-00-01908 (Beilstein Handbook Reference); 623158-99-6; LMFA01170043; BRN 1754069; butanedioic acid; Succinic acid (8CI); acide butanedioique; Dihydrofumaric acid; Katasuccin; 110-15-6; WLN: QV2VQ; FMR; AI3-06297; EINECS 203-740-4; Kyselina jantarova [Czech]; Amber acid; 398055_SIAL; 1,4-Butanedioic acid; S3674_SIAL; succinicacid; Ethylene dicarboxylic acid; 1,4-BUTANEDIOIC ACID (SUCCINIC ACID); S7501_SIAL; NSC25949; Bernsteinsaure [German]; acide succinique; NSC 106449; HOOC-CH2-CH2-COOH; Butandisaeure; 1,2-Ethanedicarboxylic acid; Acidum succinicum; Asuccin; C00042; Wormwood acid; ethylenesuccinic acid; Wormwood; 14078_FLUKA; Butanedionic acid; NSC106449; W502707_ALDRICH; W502715_ALDRICH; NCGC00159372-03; AIDS-017693; spirit of amber; A 12084; CHEBI:15741; Butanedioic acid (9CI); S9512_SIGMA; 14079_FLUKA; HSDB 791; Amber acid; amber acid | C4H6O4 | 118.09 g/mol | C(CC(=O)O)C(=O)O |
| TCMBANKIN057969 | Azelex | 2,4 azelaic acid; NCGC00093565-03; Azelaic acid [USAN:INN]; Azelaic acid; NCGC00093565-04; KBio1_000532; 458317_ALDRICH; Acide azelaique [French]; Azelaic acid, technical grade; NSC 19493; SH-441; AI3-06299; Azelaic acid (USAN); Finacea; Emerox 1110; 1,9-Nonanedioic acid; 27825-99-6; NCGC00093565-02; KBio2_005573; Spectrum4_000401; A96150_ALDRICH; BRN 1101094; AZ1; Heptanedicarboxylic acid; DivK1c_000532; EU-0100051; ZK 62498; Lopac-246379; NCGC00093565-06; D03034; SPBio_001089; Acido azelaico [Spanish]; NINDS_000532; 123-99-9; Nonanedioic acid; 32733-99-6; LMFA01170054; AIDS002603; Polyazelaic anhydride; SMR000059164; BSPBio_001756; NCGC00014993-01; Acidum azelaicum [Latin]; Poly(azelaic anhydride); 4-02-00-02055 (Beilstein Handbook Reference); AIDS-002603; Lepargylic acid; AGN-191861; KBioGR_000662; C08261; LS-22779; SDCCGMLS-0066619.P001; KBio2_000437; KBioSS_000437; Skinoren; Spectrum2_000995; Azelaic polyanhydride; 246379_ALDRICH; 26776-28-3; 1,7-Heptanedicarboxylic acid; MLS000069659; Spectrum3_000278; Anchoic acid; NSC19493; Emerox 1144; Spectrum5_001304; Azelaic acid polyanhydride; EINECS 204-669-1; SPECTRUM1500648; KBio3_001256; KBio2_003005; Spectrum_000057; Lopac0_000051; Finacea (TN); IDI1_000532; ZK-62498; Nonanedioic acid, homopolymer; Finevin; Skinorem; Azelex (TN) | C9H16O4 | 188.22 g/mol | C(CCCC(=O)O)CCCC(=O)O |
| TCMBANKIN057992 | betaine | Betaine; Aristolochic acid; EINECS 258-258-7; Betaine aspartate; carboxy-n,n,n-trimethylmethanaminium(3s)-3-amino-3-carboxypropanoate; TRIMETHYL GLYCINE (+)-ASPARTATE; AC1L2WMU; D07524; betaine hydrochloride; Somathl (TN); glycine betaine; (2S)-2-amino-4-hydroxy-4-oxobutanoate; carboxymethyl(trimethyl)azanium; aristolochic acid A; AC1Q5T26 | C5H11NO2 | 117.15 g/mol | C[N+](C)(C)CC(=O)[O-] |
| TCMBANKIN058094 | 5-HMF | 5-(Hydroxymethyl)-2-furancarboxaldehyde; 5-18-01-00130 (Beilstein Handbook Reference); 2-Furancarboxaldehyde, 5-(hydroxymethyl)-; 2-Hydroxymethyl-5-furfural; BRN 0110889; 5-(Hydroxymethyl)-2-furancarbonal; CCRIS 3160; CBiol_000485; 67-47-0; NSC40738; SBB004259; 2-Furaldehyde, 5-(hydroxymethyl)-; 5-(Hydroxymethyl)-2-furaldehyde; 5-(hydroxymethyl)furan-2-carbaldehyde; Hydroxymethylfurfurole; 5-Hydroxymethylfurfural; 5-Hydroxymethylfuraldehyde; C11101; 5-(Hydroxymethyl)furfural; 5-Oxymethylfurfurole; InChI=1/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H; EINECS 200-654-9; W501808_ALDRICH; Hydroxymethylfurfuralaldehyde; 5-(Hydroxymethyl)-2-furfuraldehyde; ICCB3_000133; H40807_ALDRICH; Hydroxymethylfurfural; 5-Hydroxymethyl-2-furancarboxaldehyde; NCGC00091513-01; 55690_FLUKA; 5-Hydroxymethyl furaldehyde; 5-(Hyddroxymethyl)furfurole; 5-Hydroxymethyl-2-furaldehyde; 5-(Hydroxymethyl)-2-furfural; NSC 40738; 76330-16-0; Hydroxymethylfurfuraldehyde; 5-Hydroxymethyl-2-formylfuran; ZINC00900788; 5-Hydroxymethylfuran-2-aldehyde; 5-methylolfurfural; 5-hydroxymethylfuraldehyde; 5-hydroxymethyl furfural; 5-hydroxy methyl furfural; 5-hydroxymethylfurfural; 2-Furancarboxaldehyde,5-(hydroxymethyl); 5-hydroxymethyl furaldehyde; 5-hydroxymethyl-2-furfural; 5-(hydroxymethyl)-2-furfural; 5- hydroxymethylfurfural; 2-Furancarboxaldehyde , 5-(hydroxymethyl) | C6H6O3 | 126.11 g/mol | C1=C(OC(=C1)C=O)CO |
| TCMBANKIN058130 | quercetin-３-Ｏ-galactoside | hyperin; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; SMR000466394; C10073; ACon1_000623; Quercetin 3-O-beta-D-galactopyranoside; Quercetin-3-O-galactoside;p Hyperin; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-; 482-36-0; Hyperin; Quercetin 3-galactoside; AIDS026341; Hyperasid; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; NSC 407304; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; Quercetin-3-O-galactoside; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; Hyperozide; AIDS-026341; MLS000759538; Quercetin 3-D-galactoside; EINECS 207-580-6; Quercetin-3-galactoside; Hyperin (8CI); Hyperoside; 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one; 83388_FLUKA; MEGxp0_000392; Hyperosid; Quercetin 3-beta-D-galactopyranoside | C21H19O12- | 463.4 g/mol | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)[O-] |
| TCMBANKIN058213 | kaemferol;kampferol;kaempferol;campherol | TNP00039; nchembio.2007.28-comp30; Kaempherol; 5-18-05-00251 (Beilstein Handbook Reference); Prestwick2_001098; CHEBI:28499; Prestwick1_001098; CAS-520-18-3; BRN 0304401; Flavone, 3,4',5,7-tetrahydroxy-; ST030560; MEGxp0_001283; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; C.I. 75640; Swartziol; K0133_SIGMA; kaempferol oxoanion; NCGC00016480-01; 60010_FLUKA; EINECS 208-287-6; Pelargidenon; Nimbecetin; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NSC 407289; 3,4',5,7-Tetrahydroxyflavone; HSCI1_000027; Pelargidenolon 1497; NSC407289; Robigenin; C05903; CPD1F-90; Kampferol; NSC 656277; Prestwick0_001098; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Populnetin; Kampcetin; Prestwick3_001098; AIDS-001404; ZINC00137345; kaempferol ; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-olate; 3,4′,5,7-Tetrahydroxyflavone; Rhamnolutein; NCGC00016480-02; ACon1_001867; NSC656277; 3,4′,5,7-Tetrahydroxyflavone; BSPBio_001176; SPBio_003058; Oprea1_650954; 5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- (9CI); Campherol; 520-18-3; 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE; S00111; Trifolitin; Kampherol; AI3-36096; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromone; Indigo yellow; Pelargidenolon; AIDS001404; nchembio718-comp14; NCGC00091036-01; Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI); CHEBI:58573; Kaemferol; Kempferol; BPBio1_001294; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Rhamnolutin; 3,5,7-triOH-Flavone; KMP; CCRIS 41; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- | C15H10O6 | 286.24 g/mol | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| TCMBANKIN058215 | kaempferol-3-o-beta-d-glucoside | kaempferol-3-O-β-D-glucopyranoside;Kaempferol-3-glucoside;astragalin;Kaempferol-3-o- glucoside;kaempferol 3-glucoside;Kaempferol 3-O-glucoside;kaempferol-3-o-glucoside;5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside; Kaempferol-3-O-.beta.-D-glucopyranoside; Kaempferol-3-beta-glucopyranoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; NCGC00163580-01; 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-; Astragaline; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; Kaempferol-3-D-glucoside; 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; MEGxp0_000168; Kaempferol-3-beta-monoglucoside; Kaempferol-3-O-glucoside; 3,4',5,7-Tetrahydroxyflavone-3-glucoside; 480-10-4; ACon1_001224; SCHEMBL23898; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; AIDS-051935; AIDS051935; CHEBI:30200; LMPK12111725; Kaempferol 3-O-beta-D-glucopyranoside; C12249; Astragalin; Kaempferol 3-O-glucoside; Kaempferol 3-glucoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; Kaempferol 3-O-beta-D-glucoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone;kaempferol-3-β-D-glucopyranoside;Kaempferol-3-O-β-D- glucopyranoside; kaempferol-3-o-beta-d-glucopyranoside;kaempferol-3-O-β-D-glucoside; Kaempferol-3-o-β-D- glucoside; Kaempferol- 3-O-β-D-glucoside | C21H20O11 | 448.38 | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
| TCMBANKIN058314 | benzaldehyde | SCHEMBL896024; A804633;Benzoic aldehyde;WLN: VHR;InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6; CHEBI:17169; Benzene methylal; B1334_ALDRICH; Ald3-H_000012; Benzenecarbonal; Benzaldehyde (natural); NCGC00091819-01; AI3-09931; EINECS 202-860-4; Oil of Bitter Almond; ST5213372; Artificial essential oil of almond; nchembio814-comp15; LS-27; EPA Pesticide Chemical Code 008601; BENZALDEHYDE; W212709_ALDRICH; Ald3.1-H_000160; D02314; Benzenemethylal; NCI-C56133; HSDB 388; 12010_FLUKA; Ald3.1-H_000479; Benzaldehyde FFC; W212717_ALDRICH; Benzene carbaldehyde; CCRIS 2376; 100-52-7; Benzaldehyde [UN1990] [Class 9]; Caswell No. 076; Benzenecarboxaldehyde; Benzoyl hydride; Ald3.1-H_000798; Benzaldehyde (NF); Artificial Almond Oil; Benzaldehyde [USAN]; Artificial Bitter Almond Oil; 09143_FLUKA; C00261; Synthetic oil of bitter almond; FEMA No. 2127; ghl.PD_Mitscher_leg0.170; c0279; 418099_ALDRICH; Benzoic aldehyde; Benzene carboxaldehyde; benzanoaldehyde; Bitter almond oil, synthetic; UN1990; NSC7917; Almond Artificial Essential Oil; NSC 7917; Benzadehyde; Phenylmethanal | C7H6O | 106.12 | C1=CC=C(C=C1)C=O |
| TCMBANKIN058322 | baicalein | 5,6,7-trihydroxyflavanone; KBio3_002435; NCGC00025282-03; 5,6,7-trihydroxy-2-phenyl-chromen-4-one; AIDS-000731; 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one; baicalein ; Sho-saiko-to; 5,6,7-trihydroxy-2-phenylchromen-4-one; ST057152; Spectrum_000427; SPECTRUM1504002; 5,6,7-trihydroxy-2-phenyl-chromone; KBio1_001798; KBio2_006043; NSC 661431; 11712_FLUKA; SDCCGMLS-0066744.P001; KBioSS_000907; CHEBI:2979; SMP1_000037; 5,6,7-trihydroxy-2-phenyl-4-chromenone; LMPK12140610; SPBio_000572; NCGC00025282-02; Dihydrobaicalein; Baicalein; 5,6,7-trihydroxy-2-phenyl-chroman-4-one; Spectrum4_000537; KBioGR_001173; 491-67-8; NCGC00017236-01; S00113; 465119_ALDRICH; Spectrum5_001418; Oprea1_765614; Tocris-1761; DivK1c_006854; NSC729192; AIDS000731; BSPBio_003215; SCHEMBL12068882; 5,6,7-Trihydroxyflavone; Spectrum3_001608; KBio2_003475; SpecPlus_000758; 5,6,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one; NSC661431; NCGC00025282-01; 5,6,7-trihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one; C10023; Spectrum2_000466; TNP00121; KBio2_000907; ZINC00017881; Biacalein; 5,6,7-trihy-droxyflavone | C15H10O5 | 270.24 g/mol | C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O |
| TCMBANKIN058413 | py | 110-86-1; Pyridin [German]; 82702_FLUKA; W296600_ALDRICH; 34945_RIEDEL; 45410-39-7; 85404-19-9; NCI60_006101; Pyridin; CCRIS 2926; 184527_ALDRICH; NCIOpen2_007999; 85404-20-2; 6999-00-4; PYRIDINE-RING; 270970_ALDRICH; Pyridine [UN1282] [Flammable liquid]; CHEBI:16227; EPA Pesticide Chemical Code 069202; ZINC00895354; NCIOpen2_002809; RCRA waste no. U196; C00747; FEMA Number 2966; 152758-95-7; InChI=1/C5H5N/c1-2-4-6-5-3-1/h1-5; Caswell No. 717; Pirydyna [Polish]; NSC406123; P57506_SIAL; NSC141574; 82704_FLUKA; NCIOpen2_007986; FEMA No. 2966; AC-907/34116015; NCI-C55301; EINECS 203-809-9; 270407_ALDRICH; 676772_SIAL; Pyridine; 62301-32-0; 33638_RIEDEL; CP 32; HSDB 118; Piridina [Italian]; NCGC00091476-01; NCIOpen2_007786; NSC 406123; ST5214494; NCIOpen2_007866; Piridina; 360570_SIAL; 02486_FLUKA; Pirydyna; WLN: T6NJ; 82005-06-9; Azine; 163392-20-9; 494410_ALDRICH; AI3-01240; UN1282; Azabenzene; RCRA waste number U196;pyridine;CTK6J6448; 847063-30-3; AKOS015962566; 2-BROMO-3-(3,4,5-TRIMETHOXY-PHENYL)-PYRIDINE; Pyridine;2-bromo-3-(3,4,5-trimethoxyphenyl)- | C5H5N | 79.1 | C1=CC=NC=C1 |
| TCMBANKIN058440 | 2-furancarboxaldehyde | 2-Furfuraldehyde; NCGC00091328-01; Furale; Caswell No. 466; CCRIS 1044; Nci-C56177; Fural; NSC8841; Furaldehydes [UN1199] [Poison]; LS-28; AI3-04466; EPA Pesticide Chemical Code 043301; 2-Furylcarboxaldehyde; 2-Furil-metanale [Italian]; NSC 8841; Furol; Furfural; 2-furfural; 2- Furfuraldehyde; furaldehyde; 48070_FLUKA; 2-Furylaldehyde xypropane; F1294-0048; 39276-09-0; Furfural (2-Furfurol, 2-Furaldehyde); Furfural, natural, >=98%, FCC, FG; Furfural, ACS reagent, 99%; FEMA No. 2968; CTK1B4104; Tox21_111114; Rcra waste number U125; 2-Furylcarboxaldehyde; KSC214C0J; 2-Furylaldehyde; 72277-EP2308870A2; ST50213385; EC 202-627-7; 2-furancarbaldehyde; QSPL 102; AKOS000118907; I14-0911; alpha-Furole; FURFURAL; AC1L1OL7; 2-Furil-metanale; BRN 0105755; furan-2-carboxaldehydl; Artificial ant oil; Fuf ural; BIDD:ER0698; F0073; QSPL 006; 2-Furancarbonal; 2-Furfural; WOOD VINEGAR; 2-Furaldehyde; Furfuraldehyde; 2-Furankarbaldehyd [Czech]; Furfurol; I14-22069; RL06103; 72277-EP2308867A2; CCRIS 1044; Fural; furfuraldehydl; Tox21_300170; EPA Pesticide Chemical Code 067206; KB-24259; Furaldehydes [UN1199] [Poison]; HYBBIBNJHNGZAN-UHFFFAOYSA-N; FEMA No. 2967; 2-Furil-metanale [Italian]; SC-18048; Furaldehydes; WLN: T5OJ BVH; ACMC-20978u; Furyl-methanal; 5-17-09-00292 (Beilstein Handbook Reference); Furfurylaldehyde; ZINC3861345; Furfurole; Furfurale [Italian]; UNII-N4G9GAT76C component HYBBIBNJHNGZAN-UHFFFAOYSA-N; Furaldehydes [UN1199] [Poison]; Tox21_202191; TRA0077688; 2-Furyl-methanal; CAS-98-01-1; Furfural (natural); 2-furaldehydl; EBD294; Caswell No. 904; 2-Furankarbaldehyd; 2-Furanaldehyde; FEMA No. 2489; BP-31002; Pyroligneous acids; CHEMBL189362; Artificial oil of ants; NCGC00253954-01; 2-Formylfuran; DSSTox_GSID_20647; DB-003668; Furol; NCGC00259740-01; LS-162370; 2-furan-carboxaldehyde; alpha-Furfuraldehyde; Caswell No. 466; NCGC00091328-04; Nci-C56177; Furfural, 99%; 2-FURANCARBOXALDEHYDE, ACS; LS-28; DTXSID1020647; AC1Q6PVV; AI3-04466; FEMA 2489; Fufural; furan-2-carbaldehyde; Ant Oil, artificial; Bran oil; Quakeral; Ant Oil; HSDB 542; Furane-2-carbaldehyde; STL283124; A845786; 2-Furylmethanal; ANW-13660; Furfurale; Wood Tar; RTC-069695; DSSTox_RID_75709; DJ1HGI319P; Furaldehyde; 2-Formylofuran; Furfural, for synthesis, 98.0%; UN1199; MCULE-5757882837; 2-Furancarboxaldehyde; 2-Furaldehyde, 8CI; NCGC00091328-02; Furfural, >=98%, FCC, FG; Qo furfural; furan-2-aldehyde; a-Furole; SBB004386; 2-furanal; 1998/1/1; Furale; NSC-8841; 72277-EP2277848A1; NSC8841; Furfural, SAJ first grade, >=99.0%; 2-Formyl furan; EPA Pesticide Chemical Code 043301; NSC 8841; U1199; UNII-DJ1HGI319P; EINECS 202-627-7; NCGC00091328-03; 2-Furaldehyde, 98% 250g; furan-2 carbaldehyde; Pyroligneous vinegar; CS-0015696; Furancarbonal; CHEBI:34768; a-furfuraldehyde; Furancarboxaldehyde; .alpha.-Furole; Pyromucic aldehyde; Furfuralu; Furole; RCRA waste no. U125; KS-00000WKJ; MolPort-000-871-210; EINECS 232-450-0; Furfural, analytical reference material; 2-Formylofuran [Polish]; DSSTox_CID_647; STR00358; InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4; MFCD00003229; 2-furancarboxyaldehyde; AM81812; Pyroligneous acid extract; C14279; Furan-2-carboxaldehyde; EINECS 202-627-7; furan-2-carbaldehyde; WLN: T5OJ BVH; 2-Furylaldehyde; Ant Oil, artificial; Furancarbonal; Bran oil; Furyl-methanal; 5-17-09-00292 (Beilstein Handbook Reference); Furfurylaldehyde; HSDB 542; Quakeral; Furfurole; Furfurale [Italian]; Furfurale; .alpha.-Furole; FURFURAL; Pyromucic aldehyde; ZINC03861345; 2-Furyl-methanal; 2-Furil-metanale; BRN 0105755; Furole; Furfural (natural); RCRA waste no. U125; Furaldehyde; Artificial ant oil; 2-Furaldehyde, purified; W248908_ALDRICH; 2-Formylofuran [Polish]; UN1199; 2-Furanaldehyde; FEMA No. 2489; 2-Furancarboxaldehyde; 185914_ALDRICH; 2-Furancarbonal; 2-Furfural; InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4; Artificial oil of ants; 2-Furaldehyde; RCRA waste number U125; 319910_SIAL; 2-Formylfuran; Furfuraldehyde; C14279; Furan-2-carboxaldehyde; Furfurol; SBB004386; 98-01-1; W248924_ALDRICH; 2-Furankarbaldehyd [Czech]; 2-Furylaldehyde xypropane; F1294-0048; 39276-09-0; Furfural (2-Furfurol, 2-Furaldehyde); Furfural, natural, >=98%, FCC, FG; Furfural, ACS reagent, 99%; FEMA No. 2968; CTK1B4104; Tox21_111114; Rcra waste number U125; 2-Furylcarboxaldehyde; KSC214C0J; 2-Furylaldehyde; 72277-EP2308870A2; ST50213385; EC 202-627-7; 2-furancarbaldehyde; QSPL 102; AKOS000118907; I14-0911; alpha-Furole; FURFURAL; AC1L1OL7; 2-Furil-metanale; BRN 0105755; furan-2-carboxaldehydl; Artificial ant oil; Fuf ural; BIDD:ER0698; F0073; QSPL 006; 2-Furancarbonal; 2-Furfural; WOOD VINEGAR; 2-Furaldehyde; Furfuraldehyde; 2-Furankarbaldehyd [Czech]; Furfurol; I14-22069; RL06103; 72277-EP2308867A2; CCRIS 1044; Fural; furfuraldehydl; Tox21_300170; EPA Pesticide Chemical Code 067206; KB-24259; Furaldehydes [UN1199] [Poison]; HYBBIBNJHNGZAN-UHFFFAOYSA-N; FEMA No. 2967; 2-Furil-metanale [Italian]; SC-18048; Furaldehydes; WLN: T5OJ BVH; ACMC-20978u; Furyl-methanal; 5-17-09-00292 (Beilstein Handbook Reference); Furfurylaldehyde; ZINC3861345; Furfurole; Furfurale [Italian]; UNII-N4G9GAT76C component HYBBIBNJHNGZAN-UHFFFAOYSA-N; Furaldehydes [UN1199] [Poison]; Tox21_202191; TRA0077688; 2-Furyl-methanal; CAS-98-01-1; Furfural (natural); 2-furaldehydl; EBD294; Caswell No. 904; 2-Furankarbaldehyd; 2-Furanaldehyde; FEMA No. 2489; BP-31002; Pyroligneous acids; CHEMBL189362; Artificial oil of ants; NCGC00253954-01; 2-Formylfuran; DSSTox_GSID_20647; DB-003668; Furol; NCGC00259740-01; LS-162370; 2-furan-carboxaldehyde; alpha-Furfuraldehyde; Caswell No. 466; NCGC00091328-04; Nci-C56177; Furfural, 99%; 2-FURANCARBOXALDEHYDE, ACS; LS-28; DTXSID1020647; AC1Q6PVV; AI3-04466; FEMA 2489; Fufural; furan-2-carbaldehyde; Ant Oil, artificial; Bran oil; Quakeral; Ant Oil; HSDB 542; Furane-2-carbaldehyde; STL283124; A845786; 2-Furylmethanal; ANW-13660; Furfurale; Wood Tar; RTC-069695; DSSTox_RID_75709; DJ1HGI319P; Furaldehyde; 2-Formylofuran; Furfural, for synthesis, 98.0%; UN1199; MCULE-5757882837; 2-Furancarboxaldehyde; 2-Furaldehyde, 8CI; NCGC00091328-02; Furfural, >=98%, FCC, FG; Qo furfural; furan-2-aldehyde; a-Furole; SBB004386; 2-furanal; 1998/1/1; Furale; NSC-8841; 72277-EP2277848A1; NSC8841; Furfural, SAJ first grade, >=99.0%; 2-Formyl furan; EPA Pesticide Chemical Code 043301; NSC 8841; U1199; UNII-DJ1HGI319P; EINECS 202-627-7; NCGC00091328-03; 2-Furaldehyde, 98% 250g; furan-2 carbaldehyde; Pyroligneous vinegar; CS-0015696; Furancarbonal; CHEBI:34768; a-furfuraldehyde; Furancarboxaldehyde; .alpha.-Furole; Pyromucic aldehyde; Furfuralu; Furole; RCRA waste no. U125; KS-00000WKJ; MolPort-000-871-210; EINECS 232-450-0; Furfural, analytical reference material; 2-Formylofuran [Polish]; DSSTox_CID_647; STR00358; InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4; MFCD00003229; 2-furancarboxyaldehyde; AM81812; Pyroligneous acid extract; C14279; Furan-2-carboxaldehyde | C5H4O2 | 96.08 g/mol | C1=COC(=C1)C=O |
| TCMBANKIN058939 | 2- acetyl furan;2- acetylfurfun;Acetylfuran;2-furyl methyl ketone;1-(2-furanyl)ethanone | 2-acetylfuran;BG01496319; InChI=1/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H; FT-0610977; Acetylfuran; CHEBI:59983; MolPort-000-871-221;Acetylfuran; NSC 49133; NSC49133; Ketone, 2-furyl methyl; A16254_ALDRICH; Furan, 2-acetyl-; 48200_FLUKA; FEMA No. 3163; MFCD00003242; | C6H6O2 | 110.11 g/mol | CC(=O)C1=CC=CO1 |
| TCMBANKIN059191 | IPZ | 2-isopropyl-3-methoxy-pyrazine; 25773-40-4; 2-ISOPROPYL-3-METHOXYPYRAZINE; 243132_ALDRICH; 2-methoxy-3-propan-2-ylpyrazine; ST5307153; 2-Methoxy-3-isopropylpyrazine; Pyrazine, 2-methoxy-3-(1-methylethyl)-; ZINC00156526; 2-methoxy-3-propan-2-yl-pyrazine; EINECS 247-256-1;2-methoxy-3-isopropylpyrazine | C8H12N2O | 152.19 g/mol | CC(C)C1=NC=CN=C1OC |
| TCMBANKIN059253 | Hexahydro-farnesyl acetone | hexahydro-farnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6, 10, 14-trimethyl-2-pentadecanone; (6S,10S)-6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl-; phytone; 6,10,14-TRIMETHYL-2-PENTADECANONE; hexahydro-farnesyl-acetone; 6,10,14-trimethyl-pentadecan-2-one; C-25231; MFCD00065420; ST049442; 13955-74-3; 2-pentadecanone, 6,10,14-trimethyl; 502-69-2; MCULE-5164481361; AC1Q5H6P; PHYTONE; 6,10,14-Trimethylpentadeca-2-one; 6,10,14-trimethyl pentadecan-2-one; STK761211; OR13502; AN-21434; CTK4J2356; MolPort-001-758-493; (R,R)-Phytone; ZX-AT021772; 2-Pentadecanone,6,10,14-trimethyl-; Hexahydrofarnesyl acetone; 6,10,14-trimethyl-2-pentadecanon; Fitone; AKOS016347358; Hexahydrofarnezylacetone; SBB012620; ZERO/001268; CC-29299; Hexahydrofarnesylacetone; 36116P; 2-Pentadecanone, 6,10,14-trimethyl-; 6,10,14-trimethyl-pentadecane-2-one; W-109084; SCHEMBL716506; Phytol ketone; AKOS001727037; SR-01000526355-1; FT-0632240; SR-01000526355; KB-85744; 6,10,14-Trimethylpentadecan-2-one; hexahydrofarnesylacetone; WHWDWIHXSPCOKZ-UHFFFAOYSA-N; EINECS 207-950-7; AC1L1V4Z; hexahydrofarnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6,10,14-trimethyl-2-Pentadeeanone; hexahydrofarnesyl acetone; 6,10,14-Trimethylpentadecan-2-one; 2-Pentadecanone, 6,10,14-trimethy-; 6, 10, 14- trimethyl- 2- pentadecanone; (6R,10R)-6,10,14-trimethylpentadecan-2-one; ZINC02169908; 6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl; Phytone; hexahydrofarnesyl acetone; perhydrofarnesyl acetone; FITONE | C18H36O | 268.5 g/mol | CC(C)CCCC(C)CCCC(C)CCCC(=O)C |
| TCMBANKIN059272 | diisobutyl phthalate | di-isobutyl phthalate;ST5405544; diisobutyl benzene-1,2-dicarboxylate; benzene-1,2-dicarboxylic acid diisobutyl ester; Di-iso-butyl phthalate; 80130_FLUKA; Isobutyl phthalate; bis(2-methylpropyl) benzene-1,2-dicarboxylate; (C4-C13) Branched alkyl alcohols, phthalic anhydride ester; ZINC00388318; EINECS 201-553-2; NSC15316; 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester; Diisobutyl phthalate; 152641_ALDRICH; EINECS 273-157-8; 68951-39-3; C15205; AI3-04278; Phthalic acid, diisobutyl ester; BRN 2054802; NCGC00091360-01; NSC 15316; WLN: 1Y1&1OVR BVO1Y1&1; 4-09-00-03177 (Beilstein Handbook Reference); Diisobutylester kyseliny ftalove [Czech]; Hexaplas M/1B; 1,2-Benzenedicarboxylic acid, C4-13-branched alkyl esters; AI3-04278 (USDA); Kodaflex DIBP; 68955-80-6; Hatcol DIBP; HSDB 5247; CCRIS 6193; di-l-butyl phthalate (DIBP); Di(i-butyl)phthalate; SMR000112470; MLS000516002; 84-69-5; Palatinol IC | C16H22O4- C6H4[CO2CH2CH(CH3)2]2 | 278.34 g/mol | CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C |
| TCMBANKIN059452 | ethyl aldehyde | C2H4O | 44.05 g/mol | CC=O | |
| TCMBANKIN059621 | ginsenoside-r0 | C48H76O19 | 957.1 g/mol | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C | |
| TCMBANKIN059622 | achyranthoside D | C53H82O25 | 1119.2 | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC(C(C(=O)O)O)OCC(=O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C | |
| TCMBANKIN059759 | ligustrazine | C8H12N2 | 136.19 g/mol | CC1=C(N=C(C(=N1)C)C)C | |
| TCMBANKIN059932 | chrysophanol | C15H10O4 | 254.24 | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O | |
| TCMBANKIN060103 | 5beta-hydroxyecdysterone | C27H44O8 | 496.6 g/mol | CC12CCC3C(=CC(=O)C4(C3(CC(C(C4)O)O)C)O)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O | |
| TCMBANKIN060104 | paristerone | C27H44O7 | 480.6 g/mol | CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O | |
| TCMBANKIN060264 | rutin | C27H30O16 | 610.5 g/mol | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | |
| TCMBANKIN060322 | inophyllolide | C25H22O5 | CC1C(OC2=C(C1O)C3=C(C(=CC(=O)O3)C4=CC=CC=C4)C5=C2C=CC(O5)(C)C)C | ||
| TCMBANKIN060438 | pseudoselagine | C16H25NO2 | 263.37 g/mol | CC1CC2CC(=O)C3CCCN4C3(C1)C2(CCC4)O | |
| TCMBANKIN060489 | 25(s)-ruscogenin 1-o-α-l-rhamnopy-ranosyl-(1→2)-β-d-xylopyranoside | C38H60O12 | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)C)OC1 | ||
| TCMBANKIN060509 | (25r,s)-5α-spirostane-2α,3β-diol 3-o-[o-β-d-glucopyranosyl-(1→2)]-o-[β-d-glucopyranos-yl-(1→3)]-o-β-d-glucopyranosyl-(1→4)-β-d-galactopyranoside] | C51H84O24 | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)C)OC1 | ||
| TCMBANKIN060512 | smilagenin | C27H44O3 | 416.6 g/mol | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1 | |
| TCMBANKIN060677 | alpha-spinasteryl-β-d-glucoside | CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |||
| TCMBANKIN060679 | stigmasterol | C29H48O | 412.7 g/mol | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | |
| TCMBANKIN060684 | delta 7-stigmastenol | C29H50O | 414.7 g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C | |
| TCMBANKIN060693 | Sitogluside | C35H60O6 | 576.85g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |
| TCMBANKIN060814 | (E)-oct-3-en-2-one | C8H14O | 126.2 | CCCCC=CC(=O)C | |
| TCMBANKIN060827 | Valeraldehyde | C5H10O | 86.13g/mol | CCCCC=O | |
| TCMBANKIN060845 | 6-undecanone | C11H22O | 170.29 g/mol | CCCCCC(=O)CCCCC | |
| TCMBANKIN060861 | 3-nonen-2-one | C9H16O | 140.22 | CCCCCC=CC(=O)C | |
| TCMBANKIN060888 | caproaldehyde | C6H12O | 100.16 g/mol | CCCCCC=O | |
| TCMBANKIN060898 | heptanoic acid;heptylic acid;enanthylic acid | CH3(CH2)5COOH | 130.18 | CCCCCCC(=O)O | |
| TCMBANKIN060945 | Methyl nonylate | C10H20O2 | 172.26 g/mol | CCCCCCCCC(=O)OC | |
| TCMBANKIN060946 | ethyl nonanoate | C11H22O2 | 186.29 | CCCCCCCCC(=O)OCC | |
| TCMBANKIN060972 | n-nonanal | C9H18O | 142.24 | CCCCCCCCC=O | |
| TCMBANKIN060976 | n-decane | C10H22 | 142.28g/mol | CCCCCCCCCC | |
| TCMBANKIN061003 | Dodekan,dodecane,n-dodecane | C12H26 | 170.33 g/mol | CCCCCCCCCCCC | |
| TCMBANKIN061024 | tetradecane | C14H28 | 196.39 g/mol | CCCCCCCCCCCCC=C | |
| TCMBANKIN061029 | myristic acid | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061058 | n-hexadecane | C16H34 | 226.44 g/mol | CCCCCCCCCCCCCCCC | |
| TCMBANKIN061071 | Ethylpalmitate | C18H36O2 | 284.5 g/mol | CCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061085 | n-heptadecane;heptadecane;Heptadekan | C17H36 | 240.5 g/mol | CCCCCCCCCCCCCCCCC | |
| TCMBANKIN061090 | n-octadecane;Oktadekan;octadecane | C18H38 | 254.49g/mol | CCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061111 | heneicosane | C21H44 | 296.57 | CCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061116 | n-docosane;TWT;docosane | C22H46 | 310.6 g/mol | CCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061122 | tricosane | C23H48 | 324.63 g/mol | CCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061127 | n-tetracosane | C24H50 | 338.65 | CCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061187 | 1-octanol | C8H18O | 130.23 g/mol | CCCCCCCCO | |
| TCMBANKIN061192 | heptanol | C7H16O | 116.2 | CCCCCCCO | |
| TCMBANKIN061194 | 1-hexanol | C6H14O | 102.17 g/mol | CCCCCCO | |
| TCMBANKIN061198 | 1- Pentanol | C5H12O | 88.15 g/mol | CCCCCO | |
| TCMBANKIN061207 | Di-n-butyl phthalate | C16H22O4 | 278.34 g/mol | CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC | |
| TCMBANKIN061215 | n-butyl-β-D-fructopyranoside | C10H20O6 | 237.27 g/mol | CCCCOC1(C(C(C(CO1)O)O)O)CO | |
| TCMBANKIN061244 | OXA | C2H6O | 46.07 | CCO | |
| TCMBANKIN061245 | Acetic ether | C4H8O2 or CH3COOC2H5 | 88.11 g/mol | CCOC(=O)C | |
| TCMBANKIN061270 | Ethyl formate | C3H6O2 | 74.08 | CCOC=O | |
| TCMBANKIN061635 | n-trans-feruloylmethoxytyramine | Hmp-hmpep; (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]prop-2-enamide; NSC723670; 83608-86-0; N-trans-feruloylmethoxytyramine; (E)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]prop-2-enamide; (E)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]acrylamide; 3-(4-Hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide; 2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-, (E)-; (E)-3-(4-Hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide | C19H21NO5 | 343.4 g/mol | COC1=C(C=CC(=C1)CCNC(=O)C=CC2=CC(=C(C=C2)O)OC)O |
| TCMBANKIN061674 | palmatin;palmatine | V1557; 5,6-Dihydro-2,3,9,10-tetramethoxydibenzo(a,g)quinolizinium hydroxide; Calystigine; Palmatine chloride; palmatine ; 6771L5MN8S; UNII-6771L5MN8S; MolPort-039-138-801; 3486-67-7 (Parent); Palmatine hydroxide; 131-04-4; BG01657711; AC1L43OM; Palmatinium hydroxide; LS-61262; DTXSID60156830; 7,8,13,13a-Tetradehydro-2,3,9,10-tetramethoxyberbinium hydroxide; Dibenzo(a,g)quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-, hydroxide; 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium hydroxide; AS-17724 | C21H22NO4+ | 352.4 g/mol | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC |
| TCMBANKIN061675 | berberime | berberine ; isoquinoline alkaloid; berberine | C20H18NO4+ | 336.4 g/mol | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC |
植物对应的疾病
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植物对应的靶点
| 靶点ID | 基因名 | 基因别名 | 描述 | 染色体位置 | Map_Location | 基因类型 |
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