TCMBANKIN000059 |
ginkgolic acid |
6-[(E)-8-Pentadecenyl]-2-hydroxybenzoic acid; 6-(8'E-pentadecaenyl)salicylic acid; (Z)-2-Hydroxy-6-(8-pentadecenyl)benzoic acid; (E)-2-Hydroxy-6-(pentadec-8-en-1-yl)benzoic acid; I01-10265; ZINC43649320; BDBM50241272; 2-hydroxy-6-[(E)-pentadec-8-enyl]benzoic acid; 2-Hydroxy-6-(8-pentadecenyl)benzoic acid, 9CI; Anacardic acid C15:1; 6-(8''E-pentadecaenyl)salicylic acid; 444573-46-0; AK677127; CHEMBL277156; 2-hydroxy-6-(pentadec-8-en-1-yl)benzoic acid; MolPort-044-724-534; AC1Q5THD; AB0054725; NSC-638511; AKOS015888427; (8E)-Anacardic Acid; AC1NSVV2; Romanicardic acid; NSC638511; 2-Hydroxy-6-(8-pentadecenyl)benzoic acid; 2-Hydroxy-6-(8-pentadecenyl)-(Z)-Benzoic acid; 2-hydroxy-6-[(8E)-pentadec-8-en-1-yl]benzoic acid; SCHEMBL8042802; ginkgolicacid; 6-[(8Z)-Pentadecenyl]-salicylic acid; 6-(8-Pentadecenyl)salicylic acid |
C22H34O3 |
346.5 g/mol |
CCCCCCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)O |
TCMBANKIN000094 |
choline |
Choline chloride; choline hydroxide |
C5H14NO+ |
104.17 g/mol |
C[N+](C)(C)CCO |
TCMBANKIN000660 |
Monomethyl lithospermate |
3-(3,4-dihydroxyphenyl)-2-[(E)-3-[(2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-methoxycarbonyl-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxypropanoic acid; AC1NSYR8; monomethyl lithospermate; lithospermic acid monomethyl ester |
C28H24O12 |
552.5 g/mol |
COC(=O)C1C(OC2=C(C=CC(=C12)C=CC(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)O)O)C4=CC(=C(C=C4)O)O |
TCMBANKIN001952 |
p-hydroxyphenyl crotonicacid |
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C10H10O3 |
178.18 g/mol |
CC=C(C1=CC=C(C=C1)O)C(=O)O |
TCMBANKIN003119 |
12-O-Nicotinoylisolineolone |
12-o-nicotinoylisolineolone; AC1NSZ3Z; [(3S,8S,10R,12R,13S,14R,17S)-17-acetyl-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] pyridine-3-carboxylate |
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469.63 |
CC(=O)C1CCC2(C1(C(CC3C2(CC=C4C3(CCC(C4)O)C)O)OC(=O)C5=CN=CC=C5)C)O |
TCMBANKIN003927 |
anemarans a, b, c, d |
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C(C=CCl)Cl |
TCMBANKIN004309 |
Anemarsaponin E |
anemarsaponin e |
C46H78O19 |
935.1 g/mol |
CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)OC |
TCMBANKIN005404 |
Hippeastrine |
BPBio1_000847; STOCK1N-52692; BSPBio_000769; NSC731436; Lycorenan-7-one, 5-hydroxy-1-methyl-9,10-(methylenebis(oxy))-, (5alpha)-; 30803-79-3; hippeastrine; C08528; 477-17-8; Prestwick3_000675 |
C17H17NO5 |
315.32 |
CN1CCC2=CC(C3C(C21)C4=CC5=C(C=C4C(=O)O3)OCO5)O |
TCMBANKIN005855 |
Mangiferolic acid |
mangiferolicacid; mangiferolic acid |
C30H48O3 |
456.7 |
CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C |
TCMBANKIN009510 |
manguferin |
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TCMBANKIN011724 |
makrkogenin-3-o-beta-d-glucopyranosyl-(1->2)-beta-d-galactopyranoside |
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TCMBANKIN011917 |
neogitogenin |
Neogitogenin; C17003; 6811-13-8; CHEBI:80854 |
C27H44O4 |
432.6 g/mol |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)O)O)C)C)C)OC1 |
TCMBANKIN011956 |
Anemarsaponin G |
anemarsaponin g |
C50H80O23 |
1049.2 g/mol |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)C)OC1 |
TCMBANKIN012337 |
Anemarsaponin F |
anemarsaponin f |
C50H82O23 |
1051.2 g/mol |
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(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)C)OC1 |
TCMBANKIN019557 |
Anemarsaponin C |
anemarsaponin c |
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901.22 |
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TCMBANKIN020392 |
sarsasapogeni |
AKOS025402319; (1'R,2R,2'S,4'R,7'S,8'R,9'S,12'S,13'S)-5,7',9',13'-TETRAMETHYL-5'-OXASPIRO[OXANE-2,6'-PENTACYCLO[10.8.0.0(2),?.0?,?.0(1)(3),(1)?]ICOSAN]-16'-OL; AC-8053; BG01705212; Q-201700 |
C27H44O3 |
416.64 |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1 |
TCMBANKIN022261 |
xilingsaponin b |
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CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)O)C)C)C)OC1 |
TCMBANKIN023430 |
Desglucolanatigonin II |
desglucolanatigonin ii |
C50H82O22 |
1035.2 g/mol |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)OC1 |
TCMBANKIN024815 |
Spongesterol |
NSC231809; spongesterol; NSC-231809; 17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol; AC1NSK2O |
C28H48O |
400.7 g/mol |
CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C |
TCMBANKIN027021 |
sarsasapogenin-3-o-beta-d-glucopyranosyl(1->2)-beta-galactopyranoside |
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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 |
TCMBANKIN030912 |
Chrysanthemaxanthin |
.beta.,.epsilon.-Carotene-3,3'-diol, 5,8-epoxy-5,8-dihydro-, (3S,3'R,5R,6'R,8S)-; JRHJXXLCNATYLS-OMSIYMKDSA-N; .beta.,.epsilon.-Carotene-3,3'-diol, 5,8-epoxy-5,8-dihydro-; 2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol; .alpha.-Carotene-3,3'-diol, 5,8-epoxy-5,8-dihydro-; Chrysanthemaxanthin, all-trans-; 2-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-(4-Hydroxy-2,6,6-trimethyl-2-cyclohexen-1-yl)-1,5,10,14-tetramethyl-1,3,5,7,9,11,13,15-hexadecaoctaenyl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-ol #; AC1NTA37; chrysanthemaxanthin; .alpha.-Carotene-3,3'-diol, 5,8-epoxy-5,8-dihydro-, all-trans- |
C14H21NO4 |
267.32 |
CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2C=C3C(CC(CC3(O2)C)O)(C)C)C)C)(C)C)O |
TCMBANKIN031220 |
OIN |
NSC61808 (HCL); Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (.alpha.S)-; D00147; 55-48-1 (SULFATE(2:1)); CHEBI:17486; [3(S)-endo]-alpha-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester; 101-31-5 (FREE BASE); BSPBio_000305; [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenyl-propanoate; AIDS012108; AIDS-012108; [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate; (2S)-3-hydroxy-2-phenyl-propionic acid [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester; 101-31-5; Hyoscyamine (USP); (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE; C02046; (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate; STOCK1N-53442; tropan-3alpha-yl (2S)-3-hydroxy-2-phenylpropanoate; tropine, (-)-tropate; Prestwick_273; (2S)-3-hydroxy-2-phenylpropanoic acid [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester; Prestwick3_000233; Hyoscyamine (L); BPBio1_000337; 5934-50-9 (HCL) |
C17H23NO3 |
289.37 |
CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 |
TCMBANKIN031643 |
scopolamine |
Scopolamine; SCHEMBL14973563; l-Scopolamine-hydrobromide; BSPBio_000953; 1-.alpha.-H, 6-.beta.,7-.beta.-epoxy-,(-)-tropate (ester), hydrobromide; Tranaxine; (1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate; SMP1_000270; Scopolamine hydrobromide; AIDS-002711; Hyoscine hydrobromide; SCHEMBL180182; NSC61806 (HBR); Scopamin; Sereen; Scopolammonium bromide; nchembio.78-comp19; (-)-Scopolamine hydrobromide; Prestwick3_000877; Euscopol; (1S,3S,5R,6R,7S)-6,7-epoxytropan-3-yl (2S)-3-hydroxy-2-phenylpropanoate; AIDS002711; Isoscopil; Hysco; SCOPOLAMINE BROMIDE; l-Hyoscine hydrobromide; 114-49-8 (HBR); [7(S)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)]-.alpha.-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo-[3.3.1.0^2,4]non-7-yl ester; NSC-61806; Beldavrin; Tropane alkaloid; 1.alpha.H, 6.beta.,7.beta.-epoxy-, (-)-tropate (ester), hydrobromide; Scopolaminium bromide; Scopos; Kwells; MLS000758270; Benzeneacetic acid; CHEBI:16794; WLN: T C356 A AN DOTJ A1 HOVYR & 1Q & EH; Benzeneacetic acid, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, [7(S)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)]-; 114-49-8; NSC61806; Hyoscinehydrobromide; 6b,7b-Epoxy-1a H,5a H-tropan-3a-ol (-)-tropate (ester) hydrobromide; (1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate; BPBio1_001049; 6533-68-2 (HBR, TRIHYDRATE); Hyoscine bromide |
C17H21NO4 |
303.35 g/mol |
CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 |
TCMBANKIN035778 |
timosaponin a- i, a- ii, a- iii, a- iv, b- i & b- ii |
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TCMBANKIN036874 |
Ginkgetin |
481G469; Amentoflavone 7,4'-dimethyl ether; BG01788374; ZINC1531664; 5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-2-chromenyl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)-4-chromenone; ginkgetin; SC-15804; FT-0686623; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl)-2-(4-hydroxyphenyl)-; AN-45198; Spectrum4_001610; SCHEMBL888410; 5,7-dihydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl)-2-(4-hydroxyphenyl)-4H-chromen-4-one; BSPBio_003374; 5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)-4H-chromen-4-one; I07-0249; BDBM50323199; 5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)chromen-4-one; Spectrum3_001727; HY-N0889; AIDS-210280; Spectrum_001932; Q-100523; 481-46-9; KBioSS_002476; 5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-chromen-2-yl)-2-methoxy-phenyl]-2-(4-hydroxyphenyl)chromen-4-one; AIFCFBUSLAEIBR-UHFFFAOYSA-N; DTXSID70197416; Y0086; C10048; KBio2_007605; 3''',8-Biflavone, 4',5,5'',7-tetrahydroxy-4''',7''-dimethoxy-; 5,7-dihydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl)-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)-; MolPort-020-005-958; Ginkgetin 7''-O-beta-D-glucopyranoside; Spectrum5_000339; CHEMBL377324; KBioGR_001959; KBio2_002469; KBio2_005037; AK546723; 4''',5,5'',7''-tetrahydroxy-4',7-dimethoxy-(3'->8'')-biflavone; Spectrum2_000054; LMPK12040003; 4H-1-Benzopyran-4-one,5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)-; 5,7-dihydroxy-8-[5-(5-hydroxy-4-keto-7-methoxy-chromen-2-yl)-2-methoxy-phenyl]-2-(4-hydroxyphenyl)chromone; AIDS210280; SPBio_000207; CS-3727; BRD-K92123432-237-02-8; 7,4'-Dimethylamentoflavone; AKOS015896770; CHEBI:5353; AC1NRS0B; KBio3_002594 |
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566.51 |
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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] |
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 |
TCMBANKIN041660 |
Tingenone |
(6aR,6bR,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione; CHEBI:9602; C08638; (6aR,6bR,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-quinone; tingenone; ZINC4097726; AC1L9BH1; 50802-21-6 |
C28H36O3 |
420.58 |
CC1CC2C(CCC3(C2(CCC4(C3=CC=C5C4=CC(=O)C(=C5C)O)C)C)C)(CC1=O)C |
TCMBANKIN042632 |
Smilagenin-3-O[beta-D-glucopyranosyl-(1-2)]-beta-D-mannopyranoside |
smilagenin-3-o[beta-d-glucopyranosyl-(1-2)]-beta-d-mannopyranoside |
C39H64O13 |
740.92 |
|
TCMBANKIN042835 |
anemarsaponin B |
anemarsaponin b |
C45H74O18 |
903 |
C1([H])([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])=C(C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([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)O3)[C@]3([H])C4([H])[H])[C@]45[H])[C@@]5([H])C([H])([H])C6([H])[H])[C@@]6([H])C([H])([H])[C@@]1([H])O[C@@]7([H])[C@]([H])(O[C
@@]8([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O8)[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O7 |
TCMBANKIN044310 |
5β,6β-Epoxy-4β,17α,27-trihydroxy-1-oxowitha-2,24-dienolide |
|
|
|
|
TCMBANKIN044573 |
Markogenin-3-O-beta-D-glucopyranosyl-(1-2)-beta-D-galactopyranoside |
markogenin-3-o-beta-d-glucopyranosyl-(1-2)-beta-d-galactopyranoside |
|
743 |
|
TCMBANKIN044759 |
Sarsasapogenin 3-O-4-rhamnosyl-sophoroside |
|
C45H74O17 |
|
C1([H])([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])([H])[C@]2(OC([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C2([H])[H]
)O3)[C@]3([H])C4([H])[H])[C@@]45[H])[C@@]5([H])C([H])([H])C6([H])[H])[C@@]6([H])C([H])([H])[C@@]1([H])O[C@@]7([H])[C@]([H])(O[C@@]8([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])(
[H])O[H])O8)[C@@]([H])(O[H])[C@]([H])(O[C@@]9([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O9)[C@@]([H])(C([H])([H])O[H])O7 |
TCMBANKIN045338 |
(5beta,25S)-Spirostan-3beta,15alpha,23alpha-diol-3-O-D-glucopyranosyl-(1-2)-beta-D-galactopyranoside |
(5beta,25s)-spirostan-3beta,15alpha,23alpha-diol-3-o-d-glucopyranosyl-(1-2)-beta-d-galactopyranoside |
|
757.03 |
CC1CC(C2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C)OC1)O |
TCMBANKIN048033 |
Anemarrhenasaponin-Ia |
anemarrhenasaponin-ia |
C40H68O14 |
773.08 |
O([C@@]([H])([C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])C([H])([H])O[H])O1)[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O[C@@]2([H])O[C@@]3([H])C([H])([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@]([H])(C([H])([H])[H])[C@](OC([H])([H])[H])(C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])O4
)[C@]4([H])[C@]5([H])O[H])[C@]56[H])[C@@]6([H])C([H])([H])C7([H])[H])[C@@]7([H])C3([H])[H] |
TCMBANKIN048870 |
Pentacosyl vinyl ester |
|
|
|
|
TCMBANKIN049738 |
anemarrhenasaponin ia |
|
C40H68O14 |
773 |
|
TCMBANKIN050506 |
Markogenin3-O-β-D-glucopyranosyl-(1→2)-β-D-galactopyranoside |
|
|
|
|
TCMBANKIN057948 |
sophorose; α-kojibiose; timobiose |
(2R,3S,4S,5R,6R)-2-(HYDROXYMETHYL)-6-{[(3R,4S,5S,6R)-2,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-3-YL]OXY}OXANE-3,4,5-TRIOL; WURCS=1.0/2,1/[22122h; C15548; 1,5]1+1,2+2; BG01054886; 1,5][X2122h; SCHEMBL17748354 |
C12H22O11 |
342.3 g/mol |
C(C1C(C(C(C(O1)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O |
TCMBANKIN058021 |
Nyasol;(+)-nyasol;cishinokiresinol;(-)-nyasol |
4-[(1E,3R)-1-(4-hydroxyphenyl)penta-1,4-dien-3-yl]phenol; 4,4'-(3-Ethenyl-1-propene-1,3-diyl)-bisphenol; 96895-25-9; 4-[(E,1R)-3-(4-hydroxyphenyl)-1-vinylprop-2-enyl]phenol; 4-[(E,1R)-3-(4-hydroxyphenyl)-1-vinyl-prop-2-enyl]phenol;4-[(1Z)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol; AC1O5TWG; SCHEMBL776218; cis-hinokiresinol; Phenol, 4,4'-(3-ethenyl-1-propene-1,3-diyl)bis-, (Z)-; 4-[(4Z)-5-(4-HYDROXYPHENYL)PENTA-1,4-DIEN-3-YL]PHENOL; 79056-22-7; (Z)-1,3-Bis(4-hydroxyphenyl)-1,4-pentadiene |
C17H16O2 |
252.31 |
C=CC(C=CC1=CC=C(C=C1)O)C2=CC=C(C=C2)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 |
TCMBANKIN058102 |
isomangiferin |
1,3,6,7-tetrahydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]xanthone; 4-beta-d-glucopyranosyl-1,3,6,7-tetrahydroxy-9h-xanthen-9-one; BG01131577; ST24047436; AC1NSX2I; CS-4662; 9H-Xanthen-9-one, 4-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxy-; 9H-Xanthen-9-one, 4-b-D-glucopyranosyl-1,3,6,7-tetrahydroxy-; FT-0686643; 1,3,6,7-tetrahydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-one; DTXSID30179435; 1,3,6,7-tetrahydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-9-xanthenone; C16979; HY-N0772; BG01710745; AKOS024465129; Isomangiferin; ZINC33832006; 8154AH; AK163808; 24699-16-9; 1,3,6,7-tetrahydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one; (1S)-1,5-anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-4-yl)-D-glucitol; MolPort-020-005-868; Ambotz24699-16-9; Isomangiferin;; Q-100321; CHEBI:80840;ismangiferin |
C19H18O11 |
422.34 |
C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O |
TCMBANKIN058266 |
niacinamide;nicotinamide |
Nicotinamide compound with [1,3,4]thiadiazol-2-yl-cyanamide; AC1MHXJ9; pyridine-3-carboxamide; 1,3,4-thiadiazol-2-ylcyanamide; LY217896 & Nicotinamide |
C6H6N2O |
122.12 g/mol |
C1=CC(=CN=C1)C(=O)N |
TCMBANKIN058286 |
4-O-β-D-glucopyranosyloxybenzoic acid methyl ester |
4-O-β-D-glucopyranosyloxybenzoic acid |
C26H32O14 |
|
C1=CC=C(C(=C1)COC(=O)C2=CC=CC=C2OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O |
TCMBANKIN059764 |
cthd0233276-21 |
|
C45H74O18 |
903.06 |
CC1=C(OC2C1C3(CCC4C(C3C2)CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)CCC(C)COC8C(C(C(C(O8)CO)O)O)O |
TCMBANKIN060342 |
anemarrhenasaponin i |
|
C39H66O14 |
758.9 g/mol |
CC1C2C(C(C3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)O)OC1(CCC(C)C)O |
TCMBANKIN060343 |
xuellanlactone |
|
C15H20O3 |
248.32 g/mol |
CC1C2C(CC(=C)C3CCC(=C)C3C2OC1=O)O |
TCMBANKIN060357 |
(25s)-26-o-beta-d-glucopyranosyl-22-hydroxy-5beta-furostane-3beta,26-diol3-o-beta-d-glucopyranosyl-(1-2)-o-beta-d-galactopyranoside |
|
C45H76O19 |
|
CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)O |
TCMBANKIN060358 |
Anemarsaponin E |
|
C46H78O19 |
935.1 g/mol |
CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)OC |
TCMBANKIN060508 |
terrestrosin e |
|
C45H74O19 |
919.19 |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)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 |
TCMBANKIN060513 |
Timosaponin A-1 |
|
C33H54O8 |
578.8 g/mol |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)OC1 |
TCMBANKIN060514 |
smilagenin-3-o-[β-d-glucopyranosyl-(1→2)]-β-d-mannopyranoside |
|
|
|
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C)OC1 |
TCMBANKIN060519 |
desgalactotigonin |
|
C50H82O22 |
1035.2 g/mol |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)OC1 |
TCMBANKIN060879 |
Linolic acid |
|
C18H32O2 |
280.4 g/mol |
CCCCCC=CCC=CCCCCCCCC(=O)O |
TCMBANKIN060958 |
oleic acid;cis-oleic acid;oleinic acid |
|
C18H34O2 |
282.46 |
CCCCCCCCC=CCCCCCCCC(=O)O |
TCMBANKIN061029 |
myristic acid |
|
C14H28O2 |
228.37 |
CCCCCCCCCCCCCC(=O)O |
TCMBANKIN061091 |
stearic acid |
|
CH3(CH2)16COOH |
284.5 g/mol |
CCCCCCCCCCCCCCCCCC(=O)O |
TCMBANKIN061299 |
atroscine |
|
C17H21NO4 |
303.35 |
CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 |
TCMBANKIN061302 |
Atropin;atropine |
|
C17H23NO3 |
289.4 g/mol |
CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 |
TCMBANKIN061371 |
nicotine |
36733_RIEDEL; 2yk1; CHEBI:59806; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine; (2S)-1-methyl-2-(pyridin-3-yl)pyrrolidinium; (S)-(-)-NICOTINE, 3-[(2S)-1-METHYL-2-PYRROLIDINYL] PYRIDINE; D03365; 54-11-5; NCGC00090693-03; 46343_RIEDEL; C00745; Nicotine; NCGC00090693-04; AIDS-156031; 65-31-6 (R,R-BITARTRATE); (2S) 3-(1-Methyl-pyrrolidin-2-yl)-pyridine; (S)-3-(N-methylpyrrolidin-2-yl)pyridine; Habitrol (TN); SBB012359; N5511_SIGMA; (−)-Nicotine; Nicotine (compounds related to); PDSP2_000555; NCT; N3876_SIGMA; 3-[(2S)-1-methyl-2-pyrrolidinyl]pyridine; NCGC00090693-01; ZB012057; (S)-(-)-nicotine; CHEBI:17688; SDCCGMLS-0066911.P001; (S)-nicotinium(1+); AC1OCG5J; 3-(2-(N-methylpyrrolidinyl))pyridine; NSC97238 (R,R-BITARTRATE SALT); 3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridine; (S)-nicotinium cation; AIDS156031; NCGC00090693-05; PDSP1_000465; PDSP1_000113; PDSP2_000463; (S)-3-(1-methylpyrrolidin-2-yl)pyridine; Nicotine (USP); 54-11-5 (FREE BASE); L(-)-nicotine; (−)-Nicotine solution |
C10H14N2 |
162.23 g/mol |
CN1CCCC1C2=CN=CC=C2 |
TCMBANKIN061819 |
monomethyl-cis-hinokiresinol |
SCHEMBL7864584; 4-[(Z)-1-Vinyl-3-(4-methoxyphenyl)-2-propenyl]phenol; 4-[(1Z)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]phenol; AC1NSYIV |
C18H18O2 |
266.3 g/mol |
COC1=CC=C(C=C1)C=CC(C=C)C2=CC=C(C=C2)O |
TCMBANKIN061934 |
neoglucobrassicin |
Neoglucobrassicin; 1-(Oxylatosulfonyloxyimino)-2-(1-methoxy 1H-indole-3-yl)ethyl 1-thio-beta-D-glucopyranoside; CHEBI:64965; neoglucobrassicin(1-); 1-S-[2-(1-methoxy-1H-indol-3-yl)-N-(sulfonatooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose; neoglucobrassicin anion; beta-D-Glucopyranose, 1-thio-, 1-(1-methoxy-N-(sulfooxy)-1H-indole-3-ethanimidate); [[2-(1-methoxyindol-3-yl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-ethylidene]amino] hydrogen sulfate; [[2-(1-methoxyindol-3-yl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]thio]ethylidene]amino] hydrogen sulfate; [[2-(1-methoxyindol-3-yl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-ethylidene]amino] hydrogen sulfate; [[2-(1-methoxy-3-indolyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]thio]ethylidene]amino] hydrogen sulfate; [[2-(1-methoxyindol-3-yl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] hydrogen sulfate |
C17H22N2O10S2 |
478.5 g/mol |
CON1C=C(C2=CC=CC=C21)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O |