Exact Mass: 420.31
Exact Mass Matches: 420.31
Found 426 metabolites which its exact mass value is equals to given mass value 420.31
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Testosterone Phenylpropionate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
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
CPA(18:0/0:0)
cPA(18:0/0:0) is a cyclic phosphatidic acid or cyclic lysophosphatidic acid. It is a glycerophospholipid in which a cyclic phosphate moiety occupies two glycerol substitution sites. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1). Fatty acids containing 16 and 18 carbons are the most common. Cyclic phosphatidic acids have been detected in a wide range of organisms including humans, especially in the brain but also in serum (at a concentration of 10-7M). cPAs have a cyclic phosphate at the sn-2 and sn-3 positions of the glycerol carbons, and this structure is absolutely necessary for their activities. In particular, it is found in tissues subject to injury, and while it may have some similar signalling functions to lysophosphatidic acid per se, it also has some quite distinct biological activities. For example, cyclic phosphatidic acid is known to be a specific inhibitor of DNA polymerase alpha. It has an appreciable effect on the inhibition of cancer cell invasion and metastasis. [HMDB] cPA(18:0/0:0) is a cyclic phosphatidic acid or cyclic lysophosphatidic acid. It is a glycerophospholipid in which a cyclic phosphate moiety occupies two glycerol substitution sites. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1). Fatty acids containing 16 and 18 carbons are the most common. Cyclic phosphatidic acids have been detected in a wide range of organisms including humans, especially in the brain but also in serum (at a concentration of 10-7M). cPAs have a cyclic phosphate at the sn-2 and sn-3 positions of the glycerol carbons, and this structure is absolutely necessary for their activities. In particular, it is found in tissues subject to injury, and while it may have some similar signalling functions to lysophosphatidic acid per se, it also has some quite distinct biological activities. For example, cyclic phosphatidic acid is known to be a specific inhibitor of DNA polymerase alpha. It has an appreciable effect on the inhibition of cancer cell invasion and metastasis.
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-
Testosterone phenylpropionate
Aplysinoplide C
A sesterterpenoid isolated from the marine sponge Aplysinopsis digitata that exhibits cytotoxicity against P388 mouse leukemia cells.
(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
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\\%
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)
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
(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
1-Oleylglycerone 3-phosphate
A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as oleyl
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
[3-carboxy-2-[(6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoyl]oxypropyl]-trimethylazanium
(2R)-2-hydroxy-3-{[(1Z)-octadec-1-en-1-yl]oxy}propyl phosphate
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-gamma-aminobutanoate
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
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
(6aS,6bS,8aS,11R,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
[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
(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
D000970 - Antineoplastic Agents
1-Oleyl-sn-glycero-3-phosphate(2-)
A 1-alkyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-oleyl-sn-glycero-3-phosphate; major species at pH 7.3.
1-Octadecylglycerone 3-phosphate(2-)
A 1-alkylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-octadecylglycerone 3-phosphate; major species at pH 7.3.
1-(1Z-octadecenyl)-sn-glycero-3-phosphate(2-)
A 1-(Z)-alk-1-enyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of any 1-(1Z-octadecenyl)-sn-glycero-3-phosphate; major species at pH 7.3.
[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
(6bs,8ar,11s,12as,12br,14as)-3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
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
4,6,16-trihydroxy-9,12,13-trimethyl-14-(2-methylpropyl)-2h,3h,4h,6h,7h,8h,10ah,13h,13ah,14h-1-oxa-2-azacyclododeca[12,11-d]isoindol-5-one
(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
(4s,6r,10as,13s,13as,14s,16ar)-4,6,16-trihydroxy-9,12,13-trimethyl-14-(2-methylpropyl)-2h,3h,4h,6h,7h,8h,10ah,13h,13ah,14h-1-oxa-2-azacyclododeca[11,12-d]isoindol-5-one
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
(6bs,8as,11r,12ar,12bs,14ar)-3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
(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"}
6-oxo-iguesterol
{"Ingredient_id": "HBIN012737","Ingredient_name": "6-oxo-iguesterol","Alias": "NA","Ingredient_formula": "C28H36O3","Ingredient_Smile": "CC1=CCC2(CCC3(C4=CC(=O)C5=C(C(=C(C=C5C4(CCC3(C2C1)C)C)O)O)C)C)C","Ingredient_weight": "420.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16348","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10342107","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"}