TCMBANKIN008337 |
stigma-7, 22-dien-3β, 5α, 6β-triol |
stigma-7,22-dien-3β,5α,6β-triol |
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TCMBANKIN011107 |
cerotic acid |
n-hexacosanoate; ceratinate; CH3-[CH2]24-COO(-); CHEBI:31013; cerotate; hexacosanoate; cerinate; cerylate; AC1NUU2D; ceroticacid; cerate |
C26H51O2- |
395.7 g/mol |
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] |
TCMBANKIN019942 |
vitamin e |
vitamin-e; LS-187838; alpha-tocopherol; tocopherol; β-Tocopherol; α-tocopher |
C29H50O2 |
430.7 g/mol |
CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C |
TCMBANKIN021826 |
amygdalinnerolidel |
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TCMBANKIN022342 |
omphalin |
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CC1=CC(=C(C(=C1)C)NC=C2C=CC(=O)C(=C2)O)C |
TCMBANKIN029110 |
(+)-8-Hydroxycalamenone |
(+)-8-Hydroxycalamenene; (+)-8-hydroxycalamenone; (1R,4S)-1-isopropyl-4,7-dimethyl-5-tetralinol; 88642-92-6; C09938; (5R,8S)-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol; (1R,4S)-1-isopropyl-4,7-dimethyl-tetralin-5-ol |
C15H22O |
218.33 |
CC1CCC(C2=C1C(=CC(=C2)C)O)C(C)C |
TCMBANKIN030646 |
3β-hydroxy-stigmast-5,22-dien-7-one |
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TCMBANKIN035836 |
serbitol |
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TCMBANKIN036182 |
ergostero1 |
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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] |
TCMBANKIN042151 |
ergosterol peroxide |
ergosterol peroxide; 2061-64-5; ergosterolperoxide; dimethyl-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl][?]ol; (3.beta.,5.alpha.,8.alpha.,22E)-5,8-Epidioxyergosta-6,22-dien-3-ol |
C56H86O2 |
791 |
O([C@]1([H])C([H])([H])C([C@@](C([H])([H])[H])([C@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]([H])(C([H])([H])[H])\C([H])=C([H])\[C@@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])C
([H])([H])[H])C([H])([H])C2([H])[H])[C@]23[H])C3=C4[H])C([H])([H])C1([H])[H])=C4[H])O[C@]5([H])C([H])([H])C([C@@](C([H])([H])[H])([C@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]([
H])(C([H])([H])[H])\C([H])=C([H])\[C@@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C6([H])[H])[C@]67[H])C7=C8[H])C([H])([H])C5([H])[H])=C8[H] |
TCMBANKIN042231 |
amygdalin |
(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile; (2R)-2-phenyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]acetonitrile; (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile; ethane; 2-(hydroxymethyl)-6-[[6-(methoxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methoxymethyl]oxane-3,4,5-triol; methanenitrile; methylbenzene; molecular hydrogen; (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-ethanenitrile; C08325; CHEBI:17019; (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile; 29883-15-6; STOCK1N-52529; (-)-D-mandelonitrile beta-D-gentiobioside; (2R)-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy](phenyl)acetonitrile; A820093; SMP1_000103; Amygdalin; ethane; formonitrile; 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(methoxymethyl)-2-oxanyl]methoxymethyl]oxane-3,4,5-triol; molecular hydrogen; toluene |
C20H27NO11 |
457.43 |
C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O |
TCMBANKIN042751 |
Multiflorin A |
acetic acid [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-3-yl]oxy-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester; acetic acid [(2R,3S,4S,5R,6S)-6-[[(2S,3R,4S,5R,6S)-6-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3-chromenyl]oxy]-4,5-dihydroxy-2-methyl-3-tetrahydropyranyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyranyl]methyl ester; LMPK12111899; [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate; [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-4,5-dihydroxy-2-methyl-oxan-3-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methyl ethanoate; multiflorin a; [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl acetate; SCHEMBL8221367 |
C29H32O16 |
636.6 g/mol |
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)OC5C(C(C(C(O5)COC(=O)C)O)O)O |
TCMBANKIN045065 |
Tirucallol |
(3S,5R,10S,13S,14S)-17-((S)-1,5-Dimethyl-hex-4-enyl)-4,4,10,13,14-pentamethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol; (3S,5R,10S,13S,14S)-17-[(1S)-1,5-dimethylhex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol; (3S,5R,10S,13S,14S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol; AC1LAPT0; Tirucalla-8,24-dien-3 beta-ol |
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426.72 |
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TCMBANKIN045825 |
7-Hydroxycadalene |
AC1LCWU6; CHEMBL451475; CTK8H5678; 2102-75-2; 3,8-Dimethyl-5-isopropyl-2-naphthol; RIWNMJBJRPCUBX-UHFFFAOYSA-N; 5-Isopropyl-3,8-dimethyl-2-naphthol #; 3,8-dimethyl-5-propan-2-yl-naphthalen-2-ol; 7-Hydroxycadalin; 5-Isopropyl-3,8-dimethyl-2-naphthol; DTXSID30345931; 3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol; 5-isopropyl-3,8-dimethyl-2-naphthalenol; 7-hydroxycadalene; 5-isopropyl-3,8-dimethyl-naphthalen-2-ol |
C15H18O |
214.3 |
CC1=C2C=C(C(=CC2=C(C=C1)C(C)C)C)O |
TCMBANKIN058058 |
galacturonic acid |
d-galacturonic acid;d-galacturonicacid |
C6H10O7 |
194.14 g/mol |
C1(C(C(OC(C1O)O)C(=O)O)O)O |
TCMBANKIN058101 |
mangiferin |
Chinoinin; 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]xanthone; AIDS-073319; 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-one; (1S)-1,5-anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-D-glucitol; C10077; 1,3,6,7-tetrahydroxyxanthone C2-beta-D-glucoside; 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-9-xanthenone; 4773-96-0; BCBcMAP01_000240; AIDS073319; M3547_SIGMA; 2-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one; SMP1_000290; 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one; Mangiferin; Mangiferin Mangifera indica bark; CHEBI:6682 |
C19H18O11 |
422.34 |
C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)C4C(C(C(C(O4)CO)O)O)O)O |
TCMBANKIN059147 |
ergosterin |
ergosterol;24-Methylcholesta-5,7,22-trien-3beta-ol; 24alpha-Methyl-22E-dehydrocholestero; (3beta,22E)-Ergosta-5,7,22-trien-3-ol; (7S,9AR,11AR)-1-[(2R,3E,5R)-5,6-DIMETHYLHEPT-3-EN-2-YL]-9A,11A-DIMETHYL-1H,2H,3H,3AH,6H,7H,8H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-OL; 45480_FLUKA; (24R)-Ergosta-5,7,22-trien-3b-ol; MEGxm0_000450; Ergosterin; 24R-Methylcholesta-5,7,22E-trien-3b-ol; 57-87-4; Ergosterol; ergosta-5,7,22E-trien-3beta-ol; (3beta)-Ergosta-5,7,22-trien-3-ol; C01694; 5,7,22-Ergostatrien-3beta-ol; AIDS064232; E6510_SIGMA; Provitamin D2; (22E)-Ergosta-5,7,22-trien-3.beta.-ol; A831651; ergosta-5,7,22-trienol; ergosta-5,7,22-trien-3 beta-ol; 24R-Methylcholesta-5,7,22E-trien-3beta-ol; ACon0_000429; ERG; ST073383; (3S,10R,13R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol; 24-Methylcholesta-5,7,22-trien-3b-ol; ACon1_000637; (3beta,2E)-Ergosta-5,7,22-trien-3-ol; Provitamine D2; AIDS-064232; 24a-Methyl-22E-dehydrocholesterol; ergosta-5,7,22-trien-3-ol; 47130U_SUPELCO; LMST01030093; (22E)-ergosta-5,7,22-trien-3beta-ol; ZINC04084618; (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol; 3beta-Hydroxy-5,7,22-ergostatriene; CHEBI:16933; (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol; (22E,24S)-24-methylcholesta-5,7,22-trien-3beta-ol |
C28H44O |
396.6 g/mol |
CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C |
TCMBANKIN059149 |
Ergosterol peroxide |
2061-64-5; NSC31324; Ergosterol peroxide; 5.alpha.,8.alpha.-Ergosta-6,22-dien-3.beta.-ol, 5,8-epidioxy-; ERGOSTEROL-5,8-PEROXIDE; Ergosterol 5.alpha.,8.alpha.-epidioxide; Ergosta-6,22-dien-3-ol, 5,8-epidioxy-, (3.beta.,5.alpha.,8.alpha.,22E)-; Ergosterol endoperoxide; (3β,5α,8α,22E,24R)-5,8-Epidioxyergosta-6,22-dien-3-ol; 5,8-epidioxyergosta-6,22-dien-3-ol; Peroxyergosterol; ergosterol peroxide; 2061-64-5; ergosterolperoxide; dimethyl-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl][?]ol; (3.beta.,5.alpha.,8.alpha.,22E)-5,8-Epidioxyergosta-6,22-dien-3-ol |
C28H44O3 |
428.6 g/mol |
CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C24C=CC5(C3(CCC(C5)O)C)OO4)C |
TCMBANKIN059662 |
galanal a |
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C20H30O3 |
318.4 g/mol |
CC1(CCCC2(C1CCC3(C2CC=C(CC3O)C=O)C=O)C)C |
TCMBANKIN059747 |
isohemigossylicacid lactone-2-methyl ether;isohemigossylicacid lactone-7-methyl ether |
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C16H16O4 |
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CC1=C(C2=C3C(=C1)C(=CC(=C3C(=O)O2)OC)C(C)C)O |
TCMBANKIN060140 |
friedelan-3-one |
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C30H50O |
426.7 g/mol |
CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C |
TCMBANKIN060161 |
afzelin |
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C21H20O10 |
432.4 g/mol |
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O |
TCMBANKIN060162 |
multiflorin b |
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C27H30O15 |
594.5 g/mol |
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)OC5C(C(C(C(O5)CO)O)O)O |
TCMBANKIN060313 |
epifriedelinol |
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C30H52O |
428.73 g/mol |
CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O |
TCMBANKIN060679 |
stigmasterol |
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C29H48O |
412.7 g/mol |
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
TCMBANKIN061254 |
ethyl gallate;gallic acid ethyl ester;Progallin A |
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C9H10O5 |
198.17 g/mol |
CCOC(=O)C1=CC(=C(C(=C1)O)O)O |