Exact Mass: 406.2499
Exact Mass Matches: 406.2499
Found 500 metabolites which its exact mass value is equals to given mass value 406.2499
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Nandrolone phenpropionate
Nandrolone phenpropionate is only found in individuals that have used or taken this drug. It is a C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of estradiol to resemble testosterone but less one carbon at the 19 position. It is a schedule III drug in the U.S. Nandrolone is an androgen receptor agonist. The drug bound to the receptor complexes which allows it to enter the nucleus and bind directly to specific nucleotide sequences of the chromosomal DNA. The areas of binding are called hormone response elements (HREs), and influence transcriptional activity of certain genes, producing the androgen effects. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Annoglabasin C
Annoglabasin C is found in alcoholic beverages. Annoglabasin C is a constituent of Annona glabra (pond apple) Constituent of Annona glabra (pond apple). Annoglabasin C is found in alcoholic beverages and fruits.
Pravastatin lactone
Adenosine, 8-(butylamino)-N-cyclopentyl-
Methyl ent-16-acetoxy-6alpha-hydroxy-17-oxo-7,13E-labdadien-15-oate
Methyl ent-16-acetoxy-8beta-formyl-8-desmethyl-6,13E-labdadien-15-oate
(17alpha)-3,5,14,19-tetrahydroxycard-20(22)-enolide
Methyl ent-16-acetoxy-6beta-hydroxy-17-oxo-7,13E-labdadien-15-oate
11alpha-Acetoxy-3beta,12beta,14-trihydroxy-14beta-pregn-5-en-20-on|11alpha-acetoxy-3beta,12beta,14-trihydroxy-14beta-pregn-5-en-20-one|Drevogenin B; 11-O-Acetyl-drevogenin P
methyl-1alpha-acetoxy-7alpha,14alpha-dihydroxy-8,15-isopimaradien-18-oate
2beta-acetoxy-19-carboxymethyl-cleroda-3,13-dien-15-oic acid
methyl 14alpha-acetoxy-7alpha,11alpha-dihydroxy-8,15-isopimaradien-18-oate
8-Hydroxy-3-(12-phenyldodecyl)-1H-2-benzopyran-1-one
methyl 3alpha-acetoxy-13xi,14xi-epoxy-15-oxo-labd-8(17)-en-19-oate
methyl 7alpha-acetoxy-8beta,14beta-diformylpodocarpane-13beta-carboxylate
19-O-acetyl-3beta,12beta,14beta,19-tetrahydroxypregn-5-en-20-one|sakuragenin
5-|A-PREGNAN-3-|A, 17,21-TRIOL-11,20-DIONE 3-ACETATE
(20S*)-14beta-acetoxy-1alpha,15beta-dihydroxy-20-methoxy-7alpha,20-epoxy-ent-kaur-16-ene|rubluanin A
3beta,5alpha,14beta,17beta-tetrahydroxycard-20(22)-enolide
dimethyl (2E,6E,10Z,14Z)-6-methoxycarbonyl-2,10,14-trimethylhexadeca-2,6,10,14-tetraenedioate
loba-8,10,15-triene-13,17,18-triol-17,18-diacetate
diacetyldistanol|ent-7alpha,18-diacetoxy-16beta-hydroxykaurane
Ajugarin IV|ajugarin-IV|Me ester,Ac-6-Hydroxy-13-cleroden-15,16-olid-18-oic acid
(1R,6R,11R,12R)-6,16-diacetoxy-12-hydroxydolabella-3E,7E-diene
methyl 7alpha-acetoxy-11alpha,14alpha-dihydroxy-8,15-isopimaradien-18-oate
2alpha,3alpha-diacetoxy-4beta-hydroxy-3,4-dihydrokolavenol acetate
methyl ent-8(R),15(S)epoxy-12beta-acetoxy-16-hydroxypimar-9(11)-en-19-oate
5-Oxo,6-hydroxy,6-Me ether-(R)-3,4-Dihydro-6,8-dihydroxy-3-tridecyl-1H-2-benzopyran-1-one
16-Hydroxy 6,16-Di-Ac-(1R,3E,6R,7E,11R,12R)-3,7-Dolabelladiene-6,12-diol
(3E,11E)-6,15-diacetoxy-7,8-epoxycembra-3,11-diene|6-acetoxy-7,8-epoxynephthenol acetate
Bipindogenin
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
(2E,4E)-cyclo-[(NMe-L-Ala)-(NMe-L-Val)-(Nalpha-hexa-2,4-dienoyl-L-Orn)]|sclerotiotide B
(+)-(1R*,3E,7E,9R*,11R*,12R*)-9,16-acetoxydolabella-3,7-dien-12-ol
[1-acetyloxy-4-(3-hydroxy-3-methylpent-4-enyl)-3,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalen-2-yl] acetate
7-Ketodeoxycholic acid
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids CONFIDENCE standard compound; INTERNAL_ID 265 7-keto-lithocholic acid is a metabolite of bile acids in Clostridium absonum. 7-keto-lithocholic acid is also converted from Lactobacillus and Bifidobacterium with specific condition[1][2].
3-Oxocholic acid
CONFIDENCE standard compound; INTERNAL_ID 302 3-Oxocholic acid is an oxo-bile acid metabolite and also a major degradation product from cholic by C. perfringens in the intestine. 3-Oxocholic acid is steroid acid found predominantly in bile of mammals[1][2][3].
(4R,E)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoic acid
(4R)-4-((3S,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(R)-4-((3S,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(4R)-4-((5S,7R,8R,9S,10S,12S,13R,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(22E)-3α,6β,7β-Trihydroxy-5β-chol-22-en-24-oic Acid
(22E)-3α,7α,12α-Trihydroxy-5β-chol-22-en-24-oic Acid
3α,12α,15β-Trihydroxy-5β-chol-8(14)-en-24-oic Acid
3,7-Dihydroxy-12-oxocholanoic acid
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
3-Oxocholic acid
A bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. [HMDB] 3-Oxocholic acid is an oxo-bile acid metabolite and also a major degradation product from cholic by C. perfringens in the intestine. 3-Oxocholic acid is steroid acid found predominantly in bile of mammals[1][2][3].
3alpha,7alpha-Dihydroxy-22-oxo-5beta-cholan-24-oic Acid
Annocherin A
(6b,7b,13R)-6,7-Diacetoxy-8,14-labdadiene-13-ol
Annoglabasin C
ST 24:2;O5
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids 3-Oxocholic acid is an oxo-bile acid metabolite and also a major degradation product from cholic by C. perfringens in the intestine. 3-Oxocholic acid is steroid acid found predominantly in bile of mammals[1][2][3].
5-methoxy-3-(2R-acetoxy-pentadecyl)-1,4-benzoquinone
Calcium bis[(3Z)-2,2,6,6-tetramethyl-5-oxo-3-hepten-3-olate]
ethane-1,2-diamine,ethyl prop-2-enoate,trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethyl]silane
Testosterone phenylacetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
Cyclopropanecarboxylic acid, 2-ethenyl-1-[[[(1R,2R,4S)-2-[(5-hexen-1-ylmethylamino)carbonyl]-4-hydroxycyclopentyl]carbonyl]amino]-, ethyl ester, (1R,2S)
TERT-BUTYL ((S)-2-(((BENZYLOXY)CARBONYL)AMINO)-3-((R)-TETRAHYDRO-2H-PYRAN-3-YL)PROPYL)(METHYL)CARBAMATE
Card-20(22)-enolide,3,5,14,19-tetrahydroxy-, (3b,5b)-
2,2-bis(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)biphenyl
3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,1-biphenyl
(1R,2S)-2-Ethenyl-1-[[[(1R,2R,4R)-2-[(6-hepten-1-ylamino)carbonyl]-4-hydroxycyclopentyl]carbonyl]amino]cyclopropanecarboxylic acid ethyl ester
bis(2,2,6,6-tetramethyl-3,5-heptanedionato)calcium(ii)
Methyl (E)-7-[2-(5-cyclohexyl-3-hydroxypent-1-ynyl)-3,5-dihydroxycyclopentyl]hept-5-enoate
vitetrifolin d
A labdane diterpenoid that is isolated from the fruits of Vitex trifolia L and Vitex negundo.
4-(7,12-Dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
3-Methyl-2-[[4-methyl-2-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]pentanoyl]amino]pentanoic acid
[1-Acetyloxy-4-(3-hydroxy-3-methylpent-4-enyl)-3,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalen-2-yl] acetate
[(1S,3R,7S,8S,8aR)-3-hydroxy-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate
Tritoniopsin A, rel-
A natural product found in Tritoniopsis elegans and Cladiella krempfi.
1-(2-Methoxyphenyl)-4-[(4-methylphenyl)-(1-propan-2-yl-5-tetrazolyl)methyl]piperazine
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alaninate
An N-acyl-L-alpha-amino acid anion that is the conjugate base of N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alanine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]alaninate
An N-acyl-L-alpha-amino acid anion that is the conjugate base of N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]alanine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
1-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
4-(4-hydroxy-2,6-dimethylheptan-4-yl)-N,N-diphenyl-1-triazolecarboxamide
1-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-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-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
1-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-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-4,7,10-trimethyl-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-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
1-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-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-4,7,10-trimethyl-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-4,7,10-trimethyl-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-4,7,10-trimethyl-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-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
1-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-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,9S)-5-methoxy-3,6,9-trimethyl-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-3,6,9-trimethyl-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-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
[(1R)-7-methoxy-9-methyl-1-(pyridin-4-ylmethyl)-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]methanol
1-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
1-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
1-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-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-4,7,10-trimethyl-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,8R)-8-methoxy-4,7,10-trimethyl-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-4,7,10-trimethyl-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-4,7,10-trimethyl-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-3,6,9-trimethyl-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-3,6,9-trimethyl-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-3,6,9-trimethyl-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-3,6,9-trimethyl-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-3,6,9-trimethyl-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-3,6,9-trimethyl-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-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
[(1S)-7-methoxy-9-methyl-1-(pyridin-4-ylmethyl)-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]methanol
3-(4-Carboxybutanamido)-1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium
4-[(3R,5S,7R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
(1-hydroxy-3-pentanoyloxypropan-2-yl) (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
(1-hydroxy-3-propanoyloxypropan-2-yl) (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Nandrolone phenpropionate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
7alpha,12alpha-Dihydroxy-3-oxo-5beta-cholan-24-oic acid
A 3-oxo steroid that is cholic acid in which the hydroxy group at position 3 has undergone formal oxidation to the corresponding ketone.
3alpha,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid
7alpha,12alpha-Dihydroxy-3-oxo-5alpha-cholan-24-oic Acid
3beta,7alpha,12alpha-Trihydroxychol-5-en-24-oic Acid
(22E)-3alpha,6beta,7beta-Trihydroxy-5beta-chol-22-en-24-oic Acid
3beta,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid
1-Heptadecylglycerone 3-phosphate(2-)
A 1-alkylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-heptadecylglycerone 3-phosphate; major species at pH 7.3.
3beta,7alpha-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid
3alpha,7alpha,12alpha-Trihydroxy-5beta-chol-9(11)-en-24-oic Acid
3alpha,12beta-Dihydroxy-11-oxo-5beta-cholan-24-oic Acid
6alpha,7alpha-Dihydroxy-3-oxo-5beta-cholan-24-oic Acid
2beta,3beta-Dihydroxy-6-oxo-5alpha-cholan-24-oic Acid
3alpha,9alpha-Dihydroxy-11-oxo-5beta-cholan-24-oic Acid
3beta,12alpha-Dihydroxy-7-oxo-5beta-cholan-24-oic Acid
6beta,12alpha-Dihydroxy-3-oxo-5beta-cholan-24-oic Acid
3alpha,12alpha-Dihydroxy-11-oxo-5beta-cholan-24-oic Acid
3alpha,12alpha-Dihydroxy-15-oxo-5beta,14beta-cholan-24-oic Acid
3alpha,7alpha,12alpha-Trihydroxy-5alpha-chol-22-en-24-oic acid
(22E)-3alpha,7alpha,12alpha-Trihydroxy-5beta-chol-22-en-24-oic Acid
3alpha,12alpha,15beta-Trihydroxy-5beta-chol-8(14)-en-24-oic Acid
(2r)-1-(5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)pentadecan-2-yl acetate
methyl 9-(acetyloxy)-7-ethenyl-5,8-dihydroxy-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2h-phenanthrene-1-carboxylate
3-(13-hydroxytetradecyl)-5,7-dimethoxy-3h-2-benzofuran-1-one
methyl (4as,4br,7r,7ar,10ar,11r,12as)-11-(acetyloxy)-1,1,4a-trimethyl-8-oxo-dodecahydrophenanthro[8,8a-c]furan-7-carboxylate
(1e,5e)-2-[(1e)-2-(acetyloxy)ethenyl]-8-[(1r,2r)-2-hydroxy-2,6,6-trimethylcyclohexyl]-6-methylocta-1,5-dien-1-yl acetate
[(3s,6s)-6-[(2s,5r)-5-[(7z,9z)-tetradeca-7,9,13-trien-1-yl]oxolan-2-yl]-1,2-dioxan-3-yl]acetic acid
(1s,3as,3br,7s,9ar,9bs,10s,11s,11as)-1-acetyl-3a,7,11-trihydroxy-9a,11a-dimethyl-1h,2h,3h,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-10-yl acetate
methyl (1s,4s,5r,9s)-4-[1-(acetyloxy)-4-(3,3-dimethyloxiran-2-yl)but-2-en-2-yl]-1-methyl-6-methylidene-10-oxabicyclo[7.1.0]decane-5-carboxylate
4-hydroxy-5-(9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-2,3-dimethoxy-6-methylcyclohex-2-en-1-one
(1s,4as,5's,8as)-5,5,5',8a-tetramethyl-2-{[(2-methylpropanoyl)oxy]methyl}-4a,6,7,8-tetrahydro-4h-spiro[naphthalene-1,2'-oxolan]-5'-ylacetic acid
5-[3-(acetyloxy)-4-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl acetate
(1r,4r,4as,5r,8r,11z,12as)-8-(acetyloxy)-4-hydroxy-1-isopropyl-4,11-dimethyl-7-methylidene-1,2,3,4a,5,6,8,9,10,12a-decahydrobenzo[10]annulen-5-yl acetate
methyl (3r)-5-[(1r,2s,3s,4as,8ar)-3-(acetyloxy)-7-hydroxy-1,2,4a-trimethyl-5-methylidene-6-oxo-2,3,4,8a-tetrahydronaphthalen-1-yl]-3-methylpentanoate
4-{7,11-dihydroxy-9a,11a-dimethyl-4-oxo-tetradecahydrocyclopenta[a]phenanthren-1-yl}pentanoic acid
(1s,2r,3s,4r)-2-(acetyloxy)-4-[(3s)-3-hydroxy-3-methylpent-4-en-1-yl]-3,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalen-1-yl acetate
4-{[(1s,2r,4as,8ar)-1-[(3e)-5-hydroxy-3-methylpent-3-en-1-yl]-1,2,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-4a-yl]methoxy}-4-oxobutanoic acid
{6-[5-(tetradeca-7,9,13-trien-1-yl)oxolan-2-yl]-1,2-dioxan-3-yl}acetic acid
(6e,8s,10e,12s,14s)-12-(acetyloxy)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-8-yl acetate
6-(8-hydroxy-5,9-dimethoxy-7-methyltetradeca-1,3,9,11-tetraen-1-yl)-5-methoxy-5,6-dihydropyran-2-one
4-{4,11-dihydroxy-9a,11a-dimethyl-7-oxo-tetradecahydrocyclopenta[a]phenanthren-1-yl}pentanoic acid
1-[(1r,4ar,4br,7s,8ar,10ar)-7-ethenyl-4b-hydroxy-1,4a,7-trimethyl-decahydrophenanthren-1-yl]methyl 3-methyl propanedioate
(3r,5s)-3-[(4r)-1-hydroxy-4-methyl-3-oxohex-1-en-1-yl]-5-[(2s)-2-hydroxy-6-methylhept-5-en-2-yl]-3-(3-methylbut-2-en-1-yl)oxolan-2-one
methyl 3-[(acetyloxy)methyl]-5-[2-(formyloxy)-5,5,8a-trimethyl-1,2,4a,6,7,8-hexahydronaphthalen-1-yl]pent-2-enoate
(4bs,6as,10as,10bs)-4b,7,7,10a-tetramethyl-2-(2-sulfoethyl)-4ah,5h,6h,6ah,8h,9h,10h,10bh,11h,12h-naphtho[2,1-f]isoquinolin-4a-yl
2-[(1r,3ar,6s,10s,12s,12as)-12-(acetyloxy)-10-hydroxy-3a,6,10-trimethyl-1h,2h,3h,6h,7h,11h,12h,12ah-cyclopenta[11]annulen-1-yl]propan-2-yl acetate
4-[3a,7,11-trihydroxy-9a-(hydroxymethyl)-11a-methyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
(2e,5s)-5-[(1r,4as,6r,8ar)-6-(acetyloxy)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-5-hydroxy-3-methylpent-2-en-1-yl acetate
(1s,2s,4as,8as)-2-(acetyloxy)-4-[(3z)-5-hydroxy-3-methylpent-3-en-1-yl]-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-yl acetate
methyl (2r,4z,8s,9e,11e)-2-hydroxy-15-[(2r)-2-hydroxy-5-oxo-2h-furan-3-yl]-4,8,12-trimethylpentadeca-4,9,11-trienoate
[(1s,2s,4r,7r,10s,12r,13r)-13-[(acetyloxy)methyl]-4,13-dihydroxy-2-methyltetracyclo[10.3.1.0¹,¹⁰.0²,⁷]hexadec-5-en-6-yl]methyl acetate
5-[7-(acetyloxy)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl acetate
3-[2-(1,2,4a-trimethyl-5-methylidene-hexahydro-2h-naphthalen-1-yl)-1-(acetyloxy)ethyl]-4-hydroxybut-2-en-1-yl acetate
[(3s,6s)-6-[(2s,5r)-5-[(7z,9e)-tetradeca-7,9,13-trien-1-yl]oxolan-2-yl]-1,2-dioxan-3-yl]acetic acid
2-[12-(acetyloxy)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl]propan-2-yl acetate
10,18-diacetoxy-8-hydroxy-2,6-dolabelladiene
{"Ingredient_id": "HBIN000031","Ingredient_name": "10,18-diacetoxy-8-hydroxy-2,6-dolabelladiene","Alias": "NA","Ingredient_formula": "C24H38O5","Ingredient_Smile": "CC1CC=CC(CC(C2C(CCC2(C=C1)C)C(C)(C)OC(=O)C)OC(=O)C)(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5302","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
12-o-acetyllineolone
{"Ingredient_id": "HBIN000920","Ingredient_name": "12-o-acetyllineolone","Alias": "NA","Ingredient_formula": "C23H34O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "448","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6β,7β-diacetoxy-13-hydroxy-labda-8,14-diene
{"Ingredient_id": "HBIN012243","Ingredient_name": "6\u03b2,7\u03b2-diacetoxy-13-hydroxy-labda-8,14-diene","Alias": "NA","Ingredient_formula": "C24H38O5","Ingredient_Smile": "CC1=C(C2(CCCC(C2C(C1OC(=O)C)OC(=O)C)(C)C)C)CCC(C)(C=C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5307","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7,11,14-trihydroxy-8,15-isopimaradien-18-oic acid; (7α,11α,14α)-form,7-ac,me ester
{"Ingredient_id": "HBIN012859","Ingredient_name": "7,11,14-trihydroxy-8,15-isopimaradien-18-oic acid; (7\u03b1,11\u03b1,14\u03b1)-form,7-ac,me ester","Alias": "NA","Ingredient_formula": "C23H34O6","Ingredient_Smile": "NA","Ingredient_weight": "406.51","OB_score": "NA","CAS_id": "234078-41-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7498","PubChem_id": "NA","DrugBank_id": "NA"}
7α,18-diacetoxyabiet-8(14)-en-13β-ol
{"Ingredient_id": "HBIN013031","Ingredient_name": "7\u03b1,18-diacetoxyabiet-8(14)-en-13\u03b2-ol","Alias": "NA","Ingredient_formula": "C24H38O5","Ingredient_Smile": "CC(C)C1(CCC2C(=C1)C(CC3C2(CCCC3(C)COC(=O)C)C)OC(=O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5283","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-hydroxy-periplogenin
{"Ingredient_id": "HBIN013788","Ingredient_name": "8-hydroxy-periplogenin","Alias": "NA","Ingredient_formula": "C23H34O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10598","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bakkenolide h
{"Ingredient_id": "HBIN017538","Ingredient_name": "bakkenolide h","Alias": "NA","Ingredient_formula": "C23H34O6","Ingredient_Smile": "CC1CCC(C2C1(CC3(C2OC(=O)C(C)C)C(=C)COC3=O)C)OC(=O)C(C)C","Ingredient_weight": "406.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2122","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10740108","DrugBank_id": "NA"}
Bakkenolide-H
{"Ingredient_id": "HBIN017539","Ingredient_name": "Bakkenolide-H","Alias": "NA","Ingredient_formula": "C23H34O6","Ingredient_Smile": "CC1CCC(C2C1(CC3(C2OC(=O)C(C)C)C(=C)COC3=O)C)OC(=O)C(C)C","Ingredient_weight": "406.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35674","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10740108","DrugBank_id": "NA"}