TCMBANKIN002295 |
Datumetine |
datumetine |
C16H21NO3 |
275.34 |
CN1C2CCC1CC(C2)C3=C(C=CC(=C3)C(=O)O)OC |
TCMBANKIN004322 |
daturametelin b |
|
C34H48O10 |
0 |
CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC=C5C4(C(=O)C=CC5)C)C)COC6C(C(C(C(O6)CO)O)O)O |
TCMBANKIN006729 |
daturametelin e |
|
C29H42O8S |
0 |
CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC=C5C4(C(=O)CC(C5)S(=O)(=O)O)C)C)COC |
TCMBANKIN008084 |
Daturic acid |
67701-03-5; daturicacid; n-Heptadecylic acid; EINECS 266-928-5; 51610_FLUKA; 67255-22-5; 68424-37-3; NSC3743; (C16-C18)Alkylcarboxylic acid; WLN: QV16; NSC 3743; SDA 19-005-00; 8043-36-5; CH3-[CH2]15-COOH; EINECS 264-123-3; 506-12-7; LMFA01010017; AI3-36481; EINECS 208-027-1; Lead(2+) heptadecanoate; 37231-04-2; Margaric acid; 45237-52-3; n-Heptadecanoic acid; 7722-21-6; 63399-94-0; Heptadecylic acid; n-Heptadecoic acid; 39390-60-8; heptadecoic acid; 8000-11-1; (C16-C18) Alkylcarboxylic acid; daturic acid; C14-C22 Fatty acid residue; Heptadecanoic acid; Margarinsaeure; 8034-57-9; CHEBI:32365; Fatty acids, C14-22; 28829-31-4; 8034-58-0; 1338-46-1; 52051-63-5; EINECS 270-298-7; 8034-56-8; 4-02-00-01193 (Beilstein Handbook Reference); Fatty acids, C16-18; BRN 1781004; 176435-16-8; 45237-51-2; H3500_SIGMA; Margarinic acid |
C17H34O2Pb |
478 g/mol |
CCCCCCCCCCCCCCCCC(=O)O.[Pb] |
TCMBANKIN016121 |
Daturametelin A |
daturametelin a |
C34H48O9 |
600.74 |
CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC=C5C4(C(=O)C=CC5)C)C)COC6C(C(C(C(O6)CO)O)O)O |
TCMBANKIN016637 |
daturametelin g-ac |
|
C41H54O14 |
|
CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=O)C)OCC2C(=O)OC3CC2(OCC3C4CCC5C4(CCC6C5CC=C7C6(C(=O)C=CC7)C)C)C)OC(=O)C |
TCMBANKIN018483 |
daturametelin c |
|
C29H40O5 |
0 |
CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC=C5C4(C(=O)C=CC5)C)C)COC |
TCMBANKIN021493 |
withanicandrin |
|
C28H36O6 |
468.6 g/mol |
CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(C(=O)CC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)C)C |
TCMBANKIN022282 |
Datumetelin |
datumetelin |
|
468.69 |
CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5COC)C)CC=C6C3(C(=O)C=CC6)C |
TCMBANKIN027557 |
daturametelin f |
|
C27H36O8S |
|
CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5=O)C)CC=C6C3(C(=O)CC(C6)S(=O)(=O)O)C |
TCMBANKIN027730 |
hyoscyamine |
Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (alphaS)-, sulfate (2:1) (salt); Hyoscyamine sulfate anhydrous; Hyoscyamine sulfate (2:1) (salt); Hyoscyamine sulphate; C17H23NO3.H2O4S; Hyoscyamine Sulfate [USP]; Egazil; SCHEMBL34273; 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, (-)-tropate (ester), sulfate (2:1); Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (3(S)-endo)-, sulfate (2:1) (salt); Hyoscyamine Sulfate (anhydrous); EINECS 210-644-6; Nulev; VJFQPODMEGSXHC-PGQIENJJSA-N; Levsin sulfate; LS-158068; Hyoscyamine sulfate (2:1); Hyoscyamine sulfate; TL8004024; CHEMBL1697729 |
C17H23NO3 |
289.4 g/mol |
CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 |
TCMBANKIN034275 |
daucene |
6,8a-dimethyl-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azulene; Azulene, 2,3,3a,4,7,8-hexahydro-3a,6-dimethyl-1-(1-methylethyl)-; 1-ISOPROPYL-3A,6-DIMETHYL-3,4,7,8-TETRAHYDRO-2H-AZULENE; MGMBZNCFUFRSSP-UHFFFAOYSA-N; 16661-00-0; AC1L42YA; 3-Isopropyl-6,8a-dimethyl-1,2,4,5,8,8a-hexahydroazulene; Dauca-4,8-diene (Daucene); Azulene, 1,2,4,5,8,8a-hexahydro-6,8a-dimethyl-3-(1-methylethyl)-; 6,8a-dimethyl-3-(propan-2-yl)-1,2,4,5,8,8a-hexahydroazulene; Azulene, 1,2,4,5,8,8a-hexahydro-3-isopropyl-6,8a-dimethyl-; Daucene |
C40H56 |
536.87 |
CC1=CCC2(CCC(=C2CC1)C(C)C)C |
TCMBANKIN036557 |
daturilinol |
|
C28H38O5 |
0 |
CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5CO)C)CC=C6C3(C(=O)C=CC6)C |
TCMBANKIN048200 |
hypaconitine |
Hypaconitine; aconitine alkaloids |
C33H45NO10 |
616 |
C1([H])([H])[C@]([H])(OC([H])([H])[H])[C@]2([C@@]([H])([C@@]([H])([C@]3(OC(C([H])([H])[H])=O)[C@@]([H])([C@@]([H])(OC(=O)c4c([H])c([H])c([H])c([H])c4[H])[C@]([C@]([H])(OC([H])([H])[H])[C@]3([H])O[H])(
O[H])C5([H])[H])[C@]25[H])[C@]6([H])OC([H])([H])[H])N(C([H])([H])[H])C7([H])[H])[C@@]6([H])[C@@]7(C([H])([H])OC([H])([H])[H])C1([H])[H] |
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 |
TCMBANKIN010981 |
tropine |
|
C8H15NO |
141.21 g/mol |
CN1C2CCC1CC(C2)O |
TCMBANKIN017069 |
tropinone |
|
C8H13NO |
139.19 g/mol |
CN1C2CCC1CC(=O)C2 |
TCMBANKIN027730 |
hyoscyamine |
Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (alphaS)-, sulfate (2:1) (salt); Hyoscyamine sulfate anhydrous; Hyoscyamine sulfate (2:1) (salt); Hyoscyamine sulphate; C17H23NO3.H2O4S; Hyoscyamine Sulfate [USP]; Egazil; SCHEMBL34273; 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, (-)-tropate (ester), sulfate (2:1); Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (3(S)-endo)-, sulfate (2:1) (salt); Hyoscyamine Sulfate (anhydrous); EINECS 210-644-6; Nulev; VJFQPODMEGSXHC-PGQIENJJSA-N; Levsin sulfate; LS-158068; Hyoscyamine sulfate (2:1); Hyoscyamine sulfate; TL8004024; CHEMBL1697729 |
C17H23NO3 |
289.4 g/mol |
CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 |
TCMBANKIN030354 |
Cyclofoetoside B |
cyclofoetoside b |
C47H80O18 |
933.13 |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3CC4(C5CCC6C(C(CCC67C5(C7)CCC4(C3C(C)CCC(C(C)(C)O)O)C)OC8C(C(C(CO8)O)O)O)(C)CO)C)O)O)O)O)O)O |
TCMBANKIN040087 |
29-Norlanost-9(11)-enol |
|
|
|
|
TCMBANKIN043675 |
29-norlanosterol |
|
C29H48O |
412.7 g/mol |
CC1C2CCC3=C(C2(CCC1O)C)CCC4(C3(CCC4C(C)CCC=C(C)C)C)C |
TCMBANKIN043775 |
cycloeucalenol |
4alpha,14-dimethyl-9beta,19-cyclo-5alpha-ergost-24(28)-en-3beta-ol; 9,19-Cycloergost-24(28)-en-3-ol, 4,14-dimethyl-, (3beta,4alpha,5alpha)-; 469-39-6; C02141; AKOS032948711; cycloleucalenol; CHEBI:16653; cycloeucalenol; 3beta,4alpha,5alpha-4,14-dimethyl-9,19-cycloergost-24(28)-en-3-ol |
C30H50O |
427 |
[C@]1([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@@]2([H])[C@@]3([C@@]4(C3([H])[H])[C@]([H])([C@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@@]5([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=C([H])[H])C(
[H])(C([H])([H])[H])C([H])([H])[H])[H])[C@]5(C([H])([H])[H])C([H])([H])C4([H])[H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H] |
TCMBANKIN045792 |
Obtusifoliol |
(3S,4S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol; 16910-32-0; 4alpha,14alpha-Dimethyl-5alpha-ergosta-8,24(28)-dien-3beta-ol; obtusifoliol; (3S,4S,5S,10S,13R,14R,17R)-17-[(1R)-4-isopropyl-1-methyl-pent-4-enyl]-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol; Ergosta-8,24(28)-dien-3-ol, 4,14-dimethyl-, (3beta,4alpha,5alpha)-; (3S,4S,5S,10S,13R,14R,17R)-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol; 4alpha,14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol; LMST01030101; 4alpha,14alpha-dimethyl-24-methylene-cholest-8-en-3beta-ol; (3S,4S,5S,10S,13R,14R,17R)-17-[(1R)-1,5-dimethyl-4-methylenehexyl]-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol; (3S,4S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol; C01943; 22332-15-6 |
|
426.72 |
|
TCMBANKIN048200 |
hypaconitine |
Hypaconitine; aconitine alkaloids |
C33H45NO10 |
616 |
C1([H])([H])[C@]([H])(OC([H])([H])[H])[C@]2([C@@]([H])([C@@]([H])([C@]3(OC(C([H])([H])[H])=O)[C@@]([H])([C@@]([H])(OC(=O)c4c([H])c([H])c([H])c([H])c4[H])[C@]([C@]([H])(OC([H])([H])[H])[C@]3([H])O[H])(
O[H])C5([H])[H])[C@]25[H])[C@]6([H])OC([H])([H])[H])N(C([H])([H])[H])C7([H])[H])[C@@]6([H])[C@@]7(C([H])([H])OC([H])([H])[H])C1([H])[H] |
TCMBANKIN057966 |
CIR |
C00327; EINECS 206-759-6; (2S)-2-amino-5-(carbamoylamino)pentanoic acid; (2S)-2-amino-5-ureidopentanoic acid; C7629_SIGMA; (2S)-2-amino-5-ureido-pentanoic acid; Citrulline, L-; alpha-Amino-delta-ureidovaleric acid; NSC 27425; (2S)-2-amino-5-(aminocarbonylamino)pentanoic acid; Ornithine, N5-(aminocarbonyl)-; N5-(Aminocarbonyl)ornithine; Ornithine, N5-carbamoyl-, L- (8CI); N(5)-(aminocarbonyl)-L-ornithine; SBB012374; N(delta)-Carbamylornithine; N(5)-carbamoyl-L-ornithine; (2S)-2-amino-5-ureido-valeric acid; (S)-2-Amino-5-ureidopentanoic acid; SMP1_000146; 2-Amino-5-ureidovaleric acid; NCGC00142602-01; L-2-Amino-5-ureidovaleric acid; delta-Ureidonorvaline; CHEBI:16349; citrulline; AB1007188; AC1LCUKE; d-citrullin; AK-58500; (R)-2-Amino-5-ureidopentanoic acid; MFCD00216469; KB-49607; D-Citruline; AX8031821; D-Ornithine,N5-(aminocarbonyl)-; W-204205; H-D-Orn(carbamoyl)-OH; (2R)-5-(aminocarbonylamino)-2-azanyl-pentanoic acid; DTXSID90348463; MolPort-003-928-964; 594C519; H-D-Cit-OH; D-Citrulline, >=99.0%; CTK4C0068; N(5)-carbamoyl-D-ornithine; AmbotzHAA1014; AJ-33795; AB0012765; ST24035348; ACM13594520; D-Citrulline; A807006; PubChem17499; TC-108738; J-300336; CHEBI:49007; SC-10122; C6H13N3O3; SCHEMBL437142; ANW-19993; AM82460; AS-12983; GTPL4683; ZINC2166829; FT-0659369; 13594-51-9; B-7191; D0V2DT; (2R)-2-amino-5-(carbamoylamino)pentanoic acid |
C6H13N3O3 |
175.19 g/mol |
C(CC(C(=O)O)N)CNC(=O)N |
TCMBANKIN059715 |
vitamin a |
|
C20H30O |
286.5 g/mol |
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C |
TCMBANKIN060905 |
Ricineic acid |
|
C18H32O2 |
280.45 |
CCCCCCC=CC=CCCCCCCCC(=O)O |
TCMBANKIN060958 |
oleic acid;cis-oleic acid;oleinic acid |
|
C18H34O2 |
282.46 |
CCCCCCCCC=CCCCCCCCC(=O)O |
TCMBANKIN010981 |
tropine |
|
C8H15NO |
141.21 g/mol |
CN1C2CCC1CC(C2)O |
TCMBANKIN017577 |
pseudotropine |
ZB006875; tropinium; (1R,3R,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-8-ium; CHEBI:57554; A807009; (3-endo,8-syn)-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane; (1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol; (3-exo,8-syn)-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane; CHEBI:57493; (1R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-8-ium; A804485; pseudotropinium |
C8H15NO |
141.21 |
CN1C2CCC1CC(C2)O |
TCMBANKIN027730 |
hyoscyamine |
Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (alphaS)-, sulfate (2:1) (salt); Hyoscyamine sulfate anhydrous; Hyoscyamine sulfate (2:1) (salt); Hyoscyamine sulphate; C17H23NO3.H2O4S; Hyoscyamine Sulfate [USP]; Egazil; SCHEMBL34273; 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, (-)-tropate (ester), sulfate (2:1); Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (3(S)-endo)-, sulfate (2:1) (salt); Hyoscyamine Sulfate (anhydrous); EINECS 210-644-6; Nulev; VJFQPODMEGSXHC-PGQIENJJSA-N; Levsin sulfate; LS-158068; Hyoscyamine sulfate (2:1); Hyoscyamine sulfate; TL8004024; CHEMBL1697729 |
C17H23NO3 |
289.4 g/mol |
CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 |
TCMBANKIN061299 |
atroscine |
|
C17H21NO4 |
303.35 |
CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 |