Exact Mass: 420.3203546
Exact Mass Matches: 420.3203546
Found 417 metabolites which its exact mass value is equals to given mass value 420.3203546
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3b,5a,6b-Cholestanetriol
3b,5a,6b-Cholestanetriol is a product of cholesterol oxidation found in human plasma. D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites
3 alpha,7 alpha,26-Trihydroxy-5beta-cholestane
3 alpha,7 alpha,26-Trihydroxy-5beta-cholestane is found in the primary bile acid biosynthesis pathway. 3 alpha,7 alpha,26-Trihydroxy-5beta-cholestane is produced from 3 alpha,7 alpha-Dihydroxy-5beta-cholestane through the action of CYP27A (E1.14.13.15). 3 alpha,7 alpha,26-Trihydroxy-5beta-cholestane is then converted to 3 alpha,7 alpha-Dihydroxy-5beta-cholestan-26-al by CYP27A (E1.14.13.15). 3 alpha,7 alpha,26-Trihydroxy-5beta-cholestane is found in the primary bile acid biosynthesis pathway.
5beta-Cholestane-3alpha,7alpha,12alpha-triol
5beta-Cholestane-3alpha,7alpha,12alpha-triol is an intermediate in bile acid biosynthesis. 5beta-Cholestane-3alpha,7alpha,12alpha-triol is the second to last step in the synthesis of 5beta-cyprinolsulfate. It is converted from 7alpha,12alpha-dihydroxy-5beta-cholestan-3-one via enzymatic reaction, and then it is converted into 3alpha,7alpha,12alpha,26-tetrahydroxy-5beta-cholestane via the enzyme cytochrome P450 (EC 1.14.13.15). This compound inhibits la-hydroxylation (PMID: 7937829). It is the byproduct of cholestanetetraol 26-dehydrogenase (EC 1.1.1.161) and the reaction that catalyzes it is classified as a small molecule reaction (BioCyc). 5-b-Cholestane-3a ,7a ,12a-triol is an intermediate in Bile acid biosynthesis. 5-b-Cholestane-3a ,7a ,12a-triol is the second to last step of synthesis of 5beta-Cyprinolsulfate. It is converted from 7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one via enzymatic reaction then it is coneverted to 3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestane via the enzyme cytochrome P450(EC.1.14.13.15). This compound inhibits la-Hydroxylation, (PMID: 7937829). It is the byproduct of Cholestanetetraol 26-dehydrogenase (EC 1.1.1.161), and the reaction that cataylzes it is classified as a small molecule reaction. (BioCyc) [HMDB]
6-ECDCA
A - Alimentary tract and metabolism > A05 - Bile and liver therapy > A05A - Bile therapy > A05AA - Bile acids and derivatives C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids Same as: D09360
5beta-Cholestane-3alpha,7alpha,27-triol
This compound belongs to the family of Cholesterols and Derivatives. These are compounds containing an hydroxylated chloestane moeity.
5beta-Cholestane-3alpha,7alpha,24-triol
5beta-Cholestane-3alpha,7alpha,24-triol is also known as 5β-cholestan-3α,7α,24-triol. 5beta-Cholestane-3alpha,7alpha,24-triol is considered to be practically insoluble (in water) and basic. 5beta-Cholestane-3alpha,7alpha,24-triol is a bile acid lipid molecule
(3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol
(3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol is found in garden tomato. (3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol is a constituent of tomato (Lycopersicon esculentum).
2,4-Decadienamide,5-(4-methoxyphenyl)-N-[(1R)-1-methyl-4-(3-pyridinyl)butyl]-, (2E,4E)-
6-Ethylchenodeoxycholic acid
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
1-Piperidinyloxy, 4-(((dodecyloxy)hydroxyphosphinyl)oxy)-2,2,6,6-tetramethyl-
C21H43NO5P (420.28786980000007)
Cholestane-3,5,6-triol
Cholestanetriol
Aplysinoplide C
A sesterterpenoid isolated from the marine sponge Aplysinopsis digitata that exhibits cytotoxicity against P388 mouse leukemia cells.
6-Deoxo-28-nortyphasterol
(1S,4S,5R,9S,10R,13R,14R)-14-hydroxy-5,9-dimethyl-14-{[(3-methylbutanoyl)oxy]methyl}tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid
O-Angeloyl-(ent-8alpha,13R)-8,13-Epoxy-hydroxy-15-labdanoic acid
methyl 17-isobutyryloxy grindelate|methyl-17-isobutyryloxy-grindeloate
6alpha,8alpha-15(S)-trihydroxy-labd-13(14),17-dien-16(S),19-olide
(6E,9E,12E,15E,18E,21E)-2-tetracosa-6,9,12,15,18,21-hexaenylpenta-2,4-dien-4-olide
methyl rel-(1R,2S)-3-(1-farnesyl-2-hydroxy-4-oxocyclopentan-1-yl)-3-methoxy propanoate
O-(3-Methyl-2-butenoyl)-(ent-8alpha,13R)-8,13-Epoxy-hydroxy-15-labdanoic acid
3alpha-amino-23,29-imino-B(9a)-homo-19-nor-5alpha-stigmasta-1(10),7,9(11),23(N)-tetraene
6alpha-malonyloxy-ethyl ester manoyl oxide|6alpha-malonyloxy-ethyl ester manoyloxide
(1beta,3beta,5alpha,6beta,22E)-24-norcholest-22-ene-1,3,5,6-tetrol|(22E)-24-norcholest-22-ene-1beta,3beta,5alpha,6beta-tetraol|(22E)-24-norcholest-22-ene-1beta,3beta,5alpha,6beta-tetrol|anthogorgsteroid D
12beta-O-acetyl-15alpha-hydroxy-17beta-methoxy-3-oxo-20,21,22-23,24,25,26,27-octanordammanrane
2alpha,3alpha,20R-trihydroxy-5alpha-pregnane 16beta-methacrylate
calotroprocerone A|ursa-5,12,20(30)-trien-18aH-3-one
6alpha,8alpha,23-trihydroxy-labd-13(14),17-dien-16(R),19-olide
(3aS,5R,5aS,9R,9aS,9bR)-1,2,3a,4,5,5a,6,9,9a,9b-decahydro-3a,9b-dihydroxy-5,8-dimethyl-1-methylidenenaphtho[2,1-b]furan-9-yl decanoate|strobilol J
(2beta, 3beta, 5alpha, 6abeta)-Cholestane-2, 3, 6-triol
8beta,13beta-epoxy-18-senecioyloxy-ent-labdan-15-oic acid
(E)-26,27-dinor-24xi-methyl-5alpha-cholest-22-ene-3beta,6alpha,15beta,25-tetrol|certonardosterol H
Azedarachol
Azedarachol is a natural product found in Melia azedarach with data available.
13alpha,17-Dihydroxy-19-(3-methylvaleryloxy)villanovan|19-O-(3-Methylpentanoyl)-(ent-13beta)-13, 17, 19-Villanovanetriol
C25H40O5_(5beta,8alpha,9beta,10alpha,13alpha,16beta)-16-Hydroxy-17-[(3-methylbutanoyl)oxy]kauran-18-oic acid
(1S,4S,5R,9S,10R,13R,14R)-14-hydroxy-5,9-dimethyl-14-{[(3-methylbutanoyl)oxy]methyl}tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid_major
(1S,4S,5R,9S,10R,13R,14R)-14-hydroxy-5,9-dimethyl-14-{[(3-methylbutanoyl)oxy]methyl}tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid_94.0\\%
(3R,5S,7R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3S,5R,7R,9S,10S,13R,14S,17R)-17-((2R)-7-hydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
4,4-difluorovitamin D3 / 4,4-difluorocholecalciferol
(5Z)-4,4-difluorovitamin D3 / (5Z)-4,4-difluorocholecalciferol
(5Z,7E)-(1S,3R)-22-(3-methylphenyl)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol
(7E)-(1R,2S,3R)-19-nor-9,10-seco-5,7-cholestadiene-1,2,3,25-tetrol
(7E)-(1R,2R,3R)-19-nor-9,10-seco-5,7-cholestadiene-1,2,3,25-tetrol
3Alpha,7Alpha,12Alpha-trihydroxy-27-nor-5Beta-cholestan-24-one
(4R,4aS,6aS,8R,9R,11aR,11bS)-8-hydroxy-4,11b-dimethyl-8-(((3-methylbutanoyl)oxy)methyl)tetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
1alpha-hydroxy-22-(3-methylphenyl)-23,24,25,26,27-pentanorvitamin D3
1alpha,2beta,25-trihydroxy-19-norvitamin D3
4-pentylphenyl 4-(trans-4-pentylcyclohexyl)-benzoate
6-(isononanoylamino)hexanoic acid, compound with 2,2,2-nitrilotriethanol (1:1)
ammonium sulfobetaine-1, tech., 70
C21H44N2O4S (420.30216240000004)
ethyl 2-(m-tert-butyl-p-hydroxyphenoxy)tetradecanoate
(3alpha,5beta,12alpha)-3,12-Dihydroxy-7-oxocholan-24-oic acid methyl ester
N-methyl-N-(1-oxododecyl)glycine, compound with 2,2,2-nitrilotri(ethanol) (1:1)
4-Heptylphenyl 4-(trans-4-propylcyclohexyl)benzoate
1-Propanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-3-[(1-oxo-hexadecyl)amino]-, chloride
2-fluoro-4,4-bis((1s,4r)-4-propylcyclohexyl)-1,1-biphenyl
(3alpha,5beta,6alpha,7beta)-6-Ethyl-3,7-dihydroxycholan-24-oic acid
(3alpha,5beta,6beta,7alpha)-6-Ethyl-3,7-dihydroxycholan-24-oic acid
(R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
17-(1,5-Dimethylhexyl)-10,13-dimethylhexadecahydrocyclopenta[a]phenanthrene-3,5,6-triol
Cholestane-3,5,6-triol
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites
(1S,4S,5R,9S,10R,13R,14R)-14-hydroxy-5,9-dimethyl-14-(3-methylbutanoyloxymethyl)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Obeticholic acid
A - Alimentary tract and metabolism > A05 - Bile and liver therapy > A05A - Bile therapy > A05AA - Bile acids and derivatives C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
3b,5a,6b-Cholestanetriol
3b,5a,6b-Cholestanetriol is a product of cholesterol oxidation found in human plasma. [HMDB]
1alpha-hydroxy-22-(3-methylphenyl)-23,24,25,26,27-pentanorvitamin D3/1alpha-hydroxy-22-(3-methylphenyl)-23,24,25,26,27-pentanorcholecalciferol
(2E,4E)-5-(4-methoxyphenyl)-N-(5-pyridin-3-ylpentan-2-yl)deca-2,4-dienamide
[3-carboxy-2-[(4Z,8Z,12Z,15Z)-octadeca-4,8,12,15-tetraenoyl]oxypropyl]-trimethylazanium
C25H42NO4+ (420.31136720000006)
[3-carboxy-2-[(6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoyl]oxypropyl]-trimethylazanium
C25H42NO4+ (420.31136720000006)
(24S)-5beta-cholestane-3alpha,7alpha,24-triol
5beta-Cholestane-3alpha,7alpha,24-triol with S-configuration at C-24.
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-gamma-aminobutanoate
C24H38NO5- (420.27498380000003)
A monocarboxylic acid anion that is the conjugate base of N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-gamma-aminobutanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-gamma-aminobutyrate
C24H38NO5- (420.27498380000003)
A monocarboxylic acid anion that is the conjugate base of N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]-gamma-aminobutanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
1-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(2S,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
1-[(5R,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
1-[(5S,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
1-[(5R,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
4-(dimethylamino)-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
1-[[(2R,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
4-(dimethylamino)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
4-(dimethylamino)-N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
1-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
1-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
1-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
1-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
1-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
1-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
1-[(4S,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
1-[(4S,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
1-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
1-[(5S,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
1-[(5R,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
1-[(5S,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
4-(dimethylamino)-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
1-[[(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(2S,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
4-(dimethylamino)-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
4-(dimethylamino)-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
1-[[(2R,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
4-(dimethylamino)-N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
1-[[(2R,3S)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
4-(dimethylamino)-N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
1-[[(2R,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
1-[[(2R,3R)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(2S,3S)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(2R,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(2S,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
1-[(5R,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
1-[(5S,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
1-[(4S,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
1-[(4R,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
1-[(4R,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
1-[(4R,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
1-[(4S,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
1-[(4R,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
1-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
1-[(4R,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
1-[(4S,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
1-[(4R,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
1-[(4S,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
1-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
1-[(5S,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
1-[(5R,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
1-[(5R,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
[1-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoxy]-3-hydroxypropan-2-yl] heptanoate
[1-hydroxy-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoxy]propan-2-yl] propanoate
[1-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoxy]propan-2-yl] pentanoate
(1-butanoyloxy-3-hydroxypropan-2-yl) (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
(1-acetyloxy-3-hydroxypropan-2-yl) (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
(1-hexanoyloxy-3-hydroxypropan-2-yl) (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
2-[Carboxy-(2-hydroxy-3-undecanoyloxypropoxy)methoxy]ethyl-trimethylazanium
C21H42NO7+ (420.29611220000004)
3β,5α,6β-Trihydroxycholestane
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites
DG(22:4)
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[9-(acetyloxy)-7-isopropyl-7-methoxy-1,4a-dimethyl-3,4,4b,5,6,9,10,10a-octahydro-2h-phenanthren-1-yl]methyl acetate
(3s)-5-[(1s,4ar,6s,7r,8ar)-7-hydroxy-2,5,5,8a-tetramethyl-6-{[(2z)-2-methylbut-2-enoyl]oxy}-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid
(2s)-3-[(1s,2r,4ar,4bs,8ar,10ar)-2,4a,8,8a,10a-pentamethyl-2,3,4,4b,5,6,9,10-octahydro-1h-phenanthrene-1-carbonyloxy]-2-hydroxypropyl acetate
(7r)-1,16-dihydroxyhexadecan-7-yl (2z)-3-(4-hydroxyphenyl)prop-2-enoate
(7r)-1,16-dihydroxyhexadecan-7-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
5-(2-{4-hydroxy-1,5,5-trimethyl-3,6-dioxaspiro[bicyclo[2.2.2]octane-2,2'-oxan]-5'-yl}ethyl)-2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde
(1s,2r,3r,4ar,5s,8as)-4a,5-dimethyl-2-{[(2r)-2-methylbutanoyl]oxy}-7-oxo-3-(prop-1-en-2-yl)-octahydronaphthalen-1-yl (2r)-2-methylbutanoate
5-{4-hydroxy-3-[6-(2-hydroxy-2,6,6-trimethylcyclohexyl)-4-methylhex-3-en-1-yl]but-2-en-1-yl}-4-(hydroxymethyl)-5h-furan-2-one
(3r,4ar,6s,6as,10as,10br)-3-ethenyl-3,4a,7,7,10a-pentamethyl-octahydro-1h-naphtho[2,1-b]pyran-6-yl 1-ethyl propanedioate
(2s,3s,4r,5s)-2-{[(2s)-2-[(1r,4as,8ar)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1h-naphthalen-1-yl]-6-methylhept-5-en-1-yl]oxy}oxane-3,4,5-triol
(1r,3r,3as,3br,5s,5as,7s,9ar,9bs,11ar)-1-[(2r,3e,5r)-6-hydroxy-5-methylhex-3-en-2-yl]-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,5,7-triol
(1r,3s,3ar,4s,7s,9as,11ar)-3,4,7-trihydroxy-1-[(2s)-1-hydroxypropan-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-10-one
1-(2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1h-phenanthrene-1-carbonyloxy)-3-hydroxypropan-2-yl acetate
(5s)-5-[(2e,5e)-docosa-2,5-dien-1-yl]-1,4-dioxane-2,3-dione
methyl (2s)-2-[(3s,6s)-6-{2-[(4as,8as)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4h-naphthalen-1-yl]ethyl}-6-methyl-1,2-dioxan-3-yl]propanoate
(2s)-1-[(1s,2r,4ar,8ar)-2,4a,8a-trimethyl-5-(4-methylpent-3-en-1-yl)-1,2,3,4,7,8-hexahydronaphthalene-1-carbonyloxy]-3-hydroxypropan-2-yl acetate
1,16-dihydroxyhexadecan-7-yl 3-(4-hydroxyphenyl)prop-2-enoate
(2e)-2-{2-[(1s,2r,4ar,7s,8ar)-7-methoxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetate
(6as,6br,8ar,12as,12br)-2,2,6a,6b,9,9,12a-heptamethyl-5,6,7,8,8a,11,12,12b-octahydro-1h-picene-3,10-dione
1,2,3,4-tetrahydro-2, 2,5,7-tetramethyl-naphthalene
{"Ingredient_id": "HBIN000590","Ingredient_name": "1,2,3,4-tetrahydro-2, 2,5,7-tetramethyl-naphthalene","Alias": "NA","Ingredient_formula": "C25H40O5","Ingredient_Smile": "CC(C)CC(=O)OCC1=CCC2C(CCCC2(C13CCC(O3)(C)CC(=O)O)C)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42279","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7α,18-diacetoxy-13β-methoxyabiet-8(14)-ene
{"Ingredient_id": "HBIN013029","Ingredient_name": "7\u03b1,18-diacetoxy-13\u03b2-methoxyabiet-8(14)-ene","Alias": "NA","Ingredient_formula": "C25H40O5","Ingredient_Smile": "CC(C)C1(CCC2C(=C1)C(CC3C2(CCCC3(C)COC(=O)C)C)OC(=O)C)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5312","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
azedarachol
{"Ingredient_id": "HBIN017447","Ingredient_name": "azedarachol","Alias": "NA","Ingredient_formula": "C25H40O5","Ingredient_Smile": "NA","Ingredient_weight": "420.588","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6451","PubChem_id": "NA","DrugBank_id": "NA"}