Exact Mass: 414.2167986
Exact Mass Matches: 414.2167986
Found 500 metabolites which its exact mass value is equals to given mass value 414.2167986
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Eplerenone
Eplerenone, an aldosterone receptor antagonist similar to spironolactone, has been shown to produce sustained increases in plasma renin and serum aldosterone, consistent with inhibition of the negative regulatory feedback of aldosterone on renin secretion. The resulting increased plasma renin activity and aldosterone circulating levels do not overcome the effects of eplerenone. Eplerenone selectively binds to recombinant human mineralocorticoid receptors relative to its binding to recombinant human glucocorticoid, progesterone and androgen receptors. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000451 - Mineralocorticoid Receptor Antagonists C - Cardiovascular system > C03 - Diuretics > C03D - Aldosterone antagonists and other potassium-sparing agents > C03DA - Aldosterone antagonists C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
Magnoshinin
A neolignan that consists of 1,2-dihydronaphthalene substituted by a 2,4,5-trimethoxyphenyl group at position 1 (the 1S,2R stereoisomer), methyl groups at positions 2 and 3, and methoxy groups at positions 5, 7 and 8 respectively.
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate
(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside
(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside is found in potato. (4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside is isolated from potatoes infected with Phoma exigu Isolated from potatoes infected with Phoma exigua. (4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside is found in potato.
4-O-Methylmelleolide
4-O-Methylmelleolide is from Armillaria mellea (honey mushroom). From Armillaria mellea (honey mushroom)
Armillarin
Armillarin is found in mushrooms. Armillarin is isolated from Armillaria mellea (honey mushroom). Isolated from Armillaria mellea (honey mushroom). Armillarin is found in mushrooms.
Armillaripin
Armillaripin is found in mushrooms. Armillaripin is a constituent of Armillaria mellea (honey mushroom) Constituent of Armillaria mellea (honey mushroom). Armillaripin is found in mushrooms.
Clausarinol
Clausarinol is found in citrus. Clausarinol is a constituent of a cross hybrid of Citrus paradisi (grapefruit) and Citrus tangerina (tangerine). Constituent of a cross hybrid of Citrus paradisi (grapefruit) and Citrus tangerina (tangerine). Clausarinol is found in citrus.
(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside
(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside is found in potato. (4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside is a constituent of potato tubers infected with Phoma foveata and Fusarium species. Constituent of potato tubers infected with Phoma foveata and Fusarium subspecies (4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside is found in potato.
7-Hydroxymitragynine
2-(12-O-beta-D-glucosyl-11-hydroxy-11-methylethyl)-6,10-dimethylspiro[4.5]-dec-6-en-8-one
2-(12-o-beta-d-glucosyl-11-hydroxy-11-methylethyl)-6,10-dimethylspiro[4.5]-dec-6-en-8-one is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-(12-o-beta-d-glucosyl-11-hydroxy-11-methylethyl)-6,10-dimethylspiro[4.5]-dec-6-en-8-one can be found in potato, which makes 2-(12-o-beta-d-glucosyl-11-hydroxy-11-methylethyl)-6,10-dimethylspiro[4.5]-dec-6-en-8-one a potential biomarker for the consumption of this food product.
17-O-deacetylvindoline
17-o-deacetylvindoline is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 17-o-deacetylvindoline can be found in a number of food items such as sorrel, dandelion, cottonseed, and saskatoon berry, which makes 17-o-deacetylvindoline a potential biomarker for the consumption of these food products.
2,6-Bis(4-ethylphenyl)perhydro-1,3,5,7-tetraoxanaphth-4-ylethane-1,2-diol
(5alpha,16beta)-14,16-Dihydroxy-3,19-dioxobufa-20,22-dienolide
3-(2-Methyl-2-propenoyl),6-tigloyl-3,6-Dihydroxyfuranoeremophilan-9-one
(1R*,2R*,5Z,10S*,11Z,14S*)-2,14-diacetoxybriara-5,7,11,17-tetraen-3-one
14,15beta-Epoxy-3beta,5-dihydroxy-19-oxo-5beta,14beta-bufa-20,22-dienolid|14,15beta-epoxy-3beta,5-dihydroxy-19-oxo-5beta,14beta-bufa-20,22-dienolide|bufotalinin
Me ester-alpha-Methyl-1-(2,3,4,9-tetrahydro-2-methyl-1H-carbazol-1-yl)-1H-indole-3-butanoic acid|methyl 2-methyl-4-(N-2beta-methyl-1,2,3,4-tetrahydrocarbazol-1alpha-ylindol-3-yl)butanoate
(19R)-1-acetyl-17,19-epoxy-12-hydroxy-11-methoxy-4-methyl-3,4-seco-curan-3-one|12-hydroxy-11-methoxy-strychnofendlerine|12-Hydroxy-11-methoxystrychnofendlerin|12-hydroxy-11-methoxystrychnofendlerine|12-Hydroxy-11-methoxystrychnofendlevin
(1beta,7beta,8beta,10beta)-8,11-dihydroxy-4-guaien-3-one 8-O-beta-D-glucopyranoside|torilolone 8-O-beta-D-glucopyranoside
pseudoguaian-1alpha(H)-8alpha,12-olide-4beta-O-beta-D-glucopyranoside
(1R,2S,5R,6R)-2,6-bis(3-ethyl-4-hydroxy-5-methoxyphenyl)-3,7-dioxabicyclo[3.3.0]octane|4,4-[(1R,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2-ethyl-6-methoxyphenol]
eudesman-8beta,12-olide-1-O-beta-D-glucopyranoside
1-(4-Hydroxy-3-methoxyphenyl)-3-oxotetradecane-5-sulfonic acid
C21H34O6S (414.20759840000005)
(1R,7R,10S)-7-hydroxy-11-O-beta-D-glucopyranosyl-4-guaien-3-one
1beta-hydroxyl-15-O-(p-methoxyphenylacetyl)-5alpha,6beta,11betaH-eudesma-3-en-12, 6alpha-olide
10-hydroxy-2,6,10-trimethyl-2E,6E,11-dodecatrienoic acid 10-O-beta-d-glucopyranoside
(7R,10R)-10,11-dihydro-10,11-dihydroxyxanthorrhizol 3-O-beta-D-glucopyranoside|5-[(1R,4R)-4,5-dihydroxy-1,5-dimethylhexyl]-2-methylphenyl beta-D-glucopyranoside
10,11-dimethoxysitsirikine|methyl (2R)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-9,10-dimethoxyindolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate
(1beta,7beta,8beta,10beta)-8,11-dihydroxy-4-guaien-3-one 11-O-beta-D-glucopyranoside|torilolone 11-O-beta-D-glucopyranoside
fukanedone C|rel-3(S)-(2,4-dihydroxybenzoyl)-4(R),5(R)-dimethyl-5-[4,8-dimethyl-4(E)-7-nonadien-6-onyl]tetrahydro-2-furanone
8alpha,9alpha-epoxy-4,4,14alpha-trimethyl-3,7,11,15,20-pentaoxo-5alpha-pregnane
1alpha,6alpha-diacetoxy-ent-kaura-9(11),16-dien-12,15-dione
Aspidospermidin-17-ol, 1-acetyl-19,21-epoxy-15,16-dimethoxy-
13,14-dioxo-11-hydroxy-7-methoxy-hassane-8,11-15-trien-(22,6)-olide
alpha,alpha-dihydro,3,5,2-trimethoxy-3-hydroxy-4-acetyl-4-isopentenylstilbene
Methyl reserpate
Methyl reserpate is a monoterpenoid indole alkaloid.
Eplerenone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000451 - Mineralocorticoid Receptor Antagonists C - Cardiovascular system > C03 - Diuretics > C03D - Aldosterone antagonists and other potassium-sparing agents > C03DA - Aldosterone antagonists C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
6,8-dihydroxy-2,2,4,4-tetramethyl-5-(2-methylpropanoyl)-9-propan-2-yl-9H-xanthene-1,3-dione
C24H30O6_Methyl 3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-8-hydroxy-6a,8-dimethyl-6-oxo-6a,8,9,9a-tetrahydro-6H-furo[2,3-h]isochromene-9-carboxylate
Deacetylvindoline
A vinca alkaloid that is vindoline in which the acetate ester group at position 17 has been hydrolysed to give the corresponding secondary alcohol.
Ala Asp Ile Pro
Ala Asp Leu Pro
Ala Asp Pro Ile
Ala Asp Pro Leu
Ala Glu Pro Val
Ala Glu Val Pro
Ala Ile Asp Pro
Ala Ile Pro Asp
Ala Leu Asp Pro
Ala Leu Pro Asp
Ala Pro Asp Ile
Ala Pro Asp Leu
Ala Pro Glu Val
Ala Pro Ile Asp
Ala Pro Leu Asp
Ala Pro Val Glu
Ala Val Glu Pro
Ala Val Pro Glu
Asp Ala Ile Pro
Asp Ala Leu Pro
Asp Ala Pro Ile
Asp Ala Pro Leu
Asp Ile Ala Pro
Asp Ile Pro Ala
Asp Leu Ala Pro
Asp Leu Pro Ala
Asp Pro Ala Ile
Asp Pro Ala Leu
Asp Pro Ile Ala
Asp Pro Leu Ala
Glu Ala Pro Val
Glu Ala Val Pro
Glu Gly Ile Pro
Glu Gly Leu Pro
Glu Gly Pro Ile
Glu Gly Pro Leu
Glu Ile Gly Pro
Glu Ile Pro Gly
Glu Leu Gly Pro
Glu Leu Pro Gly
Glu Pro Ala Val
Glu Pro Gly Ile
Glu Pro Gly Leu
Glu Pro Ile Gly
Glu Pro Leu Gly
Glu Pro Val Ala
Glu Val Ala Pro
Glu Val Pro Ala
Gly Glu Ile Pro
Gly Glu Leu Pro
Gly Glu Pro Ile
Gly Glu Pro Leu
Gly Ile Glu Pro
Gly Ile Pro Glu
Gly Lys Asn Pro
Gly Lys Pro Asn
Gly Leu Glu Pro
Gly Leu Pro Glu
Gly Asn Lys Pro
Gly Asn Pro Lys
Gly Pro Glu Ile
Gly Pro Glu Leu
Gly Pro Ile Glu
Gly Pro Lys Asn
Gly Pro Leu Glu
Gly Pro Asn Lys
Ile Ala Asp Pro
Ile Ala Pro Asp
Ile Asp Ala Pro
Ile Asp Pro Ala
Ile Glu Gly Pro
Ile Glu Pro Gly
Ile Gly Glu Pro
Ile Gly Pro Glu
Ile Pro Ala Asp
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Ile Pro Gly Glu
Lys Gly Asn Pro
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Leu Ala Asp Pro
Leu Ala Pro Asp
Leu Asp Ala Pro
Leu Asp Pro Ala
Leu Glu Gly Pro
Leu Glu Pro Gly
Leu Gly Glu Pro
Leu Gly Pro Glu
Leu Pro Ala Asp
Leu Pro Asp Ala
Leu Pro Glu Gly
Leu Pro Gly Glu
Asn Gly Lys Pro
Asn Gly Pro Lys
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Pro Ala Ile Asp
Pro Ala Leu Asp
Pro Ala Val Glu
Pro Asp Ala Ile
Pro Asp Ala Leu
Pro Asp Ile Ala
Pro Asp Leu Ala
Pro Glu Ala Val
Pro Glu Gly Ile
Pro Glu Gly Leu
Pro Glu Ile Gly
Pro Glu Leu Gly
Pro Glu Val Ala
Pro Gly Glu Ile
Pro Gly Glu Leu
Pro Gly Ile Glu
Pro Gly Lys Asn
Pro Gly Leu Glu
Pro Gly Asn Lys
Pro Ile Ala Asp
Pro Ile Asp Ala
Pro Ile Glu Gly
Pro Ile Gly Glu
Pro Lys Gly Asn
Pro Lys Asn Gly
Pro Leu Ala Asp
Pro Leu Asp Ala
Pro Leu Glu Gly
Pro Leu Gly Glu
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Pro Val Ala Glu
Pro Val Glu Ala
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Val Glu Ala Pro
Val Glu Pro Ala
Val Pro Ala Glu
Val Pro Glu Ala
methyl 5-hydroperoxy-6,8,9,11-bisepidioxy-12,14-eicosadienoate
methyl 9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoate
methyl 6,8-epidioxy-5,15-dihydroperoxy-9,11,13-eicosatrienoate
Armillaripin
(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside
(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside
4-O-Methylmelleolide
Armillarin
Clausarinol
Doxapram hydrochloride
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D019141 - Respiratory System Agents
Poly(tetramethylene-3-methyltetramethylene ether)glycol bis(4-aminobenzoate)
benzyl N-methyl-N-[1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]carbamate
9β,11β-Epoxy-17,21-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione 21-Acetate
Palovarotene
C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent M - Musculo-skeletal system
1,3-diisocyanato-2-methylbenzene,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,2-(2-hydroxyethoxy)ethanol
7β-Eplerenone Impurity
2-Ethylhexyl 4-phenylbenzophenone-2-carboxylate
C1892 - Chemopreventive Agent > C851 - Sunscreen
N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-2-naphthamide
8-[[4-[2-Furanyl(oxo)methyl]-1-piperazinyl]methyl]-1,3-dimethyl-7-propylpurine-2,6-dione
C20H26N6O4 (414.20154360000004)
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate
4-Chloro-N-(3-Methoxypropyl)-N-[(3s)-1-(2-Phenylethyl)piperidin-3-Yl]benzamide
N1-citryl-N3-dec-2-enoyl-N3-hydroxy-1,3-diaminopropane
methyl (Z)-2-(3-ethyl-7a-hydroxy-8-methoxy-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl)-3-methoxyprop-2-enoate
2-(12-O-beta-D-glucosyl-11-hydroxy-11-methylethyl)-6,10-dimethylspiro[4.5]-dec-6-en-8-one
1-(3-(9H-Carbazol-9-yl)propyl)-4-(2-methoxyphenyl)piperidin-4-ol
6-hydroxy-N-[(2S)-3-hydroxy-1-({1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopent-4-en-2-yl}amino)-1-oxopropan-2-yl]-6-methylheptanamide
methyl 3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-8-hydroxy-6a,8-dimethyl-6-oxo-9,9a-dihydrofuro[2,3-h]isochromene-9-carboxylate
(3aS,5S,9aS)-5-[1-(2-methoxyphenyl)-4-pyrazolyl]-2-phenyl-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one
4-tert-butyl-N-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]benzamide
C23H30N2O3S (414.19770300000005)
1-(9Z,12Z,15Z)-octadecatrienylglycerone 3-phosphate(2-)
C21H35O6P-2 (414.21711400000004)
(2S)-4-methyl-2-[[oxo-[5-[oxo-[(phenylmethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]pentanoic acid tert-butyl ester
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-piperidinecarboxamide
tert-butyl (6-{(2E)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl}-6-oxohexyl)carbamate
N-[(1S,3R,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3R,4aR,9aS)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3S,4aR,9aS)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3R,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3S,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3R,4aR,9aS)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
N-[(1S,3R,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
N-[(1S,3S,4aR,9aS)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
N-[(1S,3R,4aR,9aS)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
N-[(1R,3R,4aR,9aS)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3S,4aR,9aS)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3S,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3S,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
N-[(1R,3S,4aR,9aS)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
N-[(1R,3R,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
N-[(1R,3S,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
(1R,5S)-6-[(3,5-dimethoxyphenyl)methyl]-7-[4-(4-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
methyl (E)-2-[(2S,3R,7aS,12bS)-3-ethyl-7a-hydroxy-8-methoxy-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] undecanoate
C17H35O9P (414.20185900000007)
methyl (1S,2S,9R,10R,11S,14S,15S,17S)-2,15-dimethyl-5,5-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2-oxolane]-9-carboxylate
methyl (E)-2-[(3S,7aS,12bS)-3-ethyl-7a-hydroxy-8-methoxy-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
TMC-86B
An epoxide that is oxiran-2-ylmethanol which is acylated at position 2 by N-(6-hydroxy-6-methylheptanoyl)-L-seryl-4-methylidenenorvalinyl group. It is a proteasome inhibitor isolated from Streptomyces.
Methyl 2-(3-ethyl-7a-hydroxy-8-methoxy-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl)-3-methoxyprop-2-enoate
1-(9Z,12Z,15Z)-octadecatrienylglycerone 3-phosphate(2-)
C21H35O6P (414.21711400000004)
A 1-alkylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-O-(9Z,12Z,15Z)-octadecatrienylglycerone 3-phosphate; major species at pH 7.3.
JNJ-46281222
JNJ-46281222 is an metabotropic glutamate (mGlu) 2-selective, highly potent PAM (positive allosteric modulator) with nanomolar affinity (Kd = 1.7 nM) and a high modulatory potency (pEC50?= 7.71)[1].
pregnenetriol sulfate
new metabolite created
(2r,3s,4as,11br)-3-(acetyloxy)-4a-hydroxy-4,4,7,11b-tetramethyl-1h,2h,3h,5h,6h-phenanthro[3,2-b]furan-2-yl acetate
2-(acetyloxy)-4a-hydroxy-4,4,7,11b-tetramethyl-1h,2h,3h,5h,6h-phenanthro[3,2-b]furan-3-yl acetate
5-(2-hydroxypropan-2-yl)-2,8-dimethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[4.4.0.0²,⁸]decan-7-one
6,8-dihydroxy-9-isopropyl-2,2,4,4-tetramethyl-7-(2-methylpropanoyl)-9h-xanthene-1,3-dione
(6r,6as,8s,10as)-4-(acetyloxy)-1-formyl-3-isopropyl-8,10a-dimethyl-7-methylidene-6h,6ah,8h,9h,10h-benzo[c]isochromen-6-yl acetate
1-[(1r,4r,12r,16s)-7-hydroxy-8,9-dimethoxy-17-oxa-5,15-diazahexacyclo[13.4.3.0¹,¹⁶.0⁴,¹².0⁶,¹¹.0¹²,¹⁶]docosa-6(11),7,9-trien-5-yl]ethanone
methyl 6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate
(6s,7r)-5,6,7-trihydroxy-8,8-dimethyl-3,10-bis(2-methylbut-3-en-2-yl)-6h,7h-pyrano[3,2-g]chromen-2-one
3,7-dimethyl-6-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-3h,3ah,4h,7h,8h,8ah-cyclohepta[b]furan-2-one
(1s,3r,4ar,11bs)-1-(acetyloxy)-4a-hydroxy-4,4,7,11b-tetramethyl-1h,2h,3h,5h,6h-phenanthro[3,2-b]furan-3-yl acetate
(3s,3ar,7s,8ar)-3,7-dimethyl-6-[(3r)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-3h,3ah,4h,7h,8h,8ah-cyclohepta[b]furan-2-one
3,4a,5-trimethyl-4-[(2-methylprop-2-enoyl)oxy]-9-oxo-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-6-yl 3-methylbut-2-enoate
methyl 2-{6'-ethyl-2-hydroxy-4-methoxy-3',5',6',7',8',8'a-hexahydro-2'h-spiro[indole-3,1'-indolizin]-7'-yl}-3-methoxyprop-2-enoate
4-[(1s,3ar,4r,6ar)-4-(3-ethyl-4-hydroxy-5-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-ethyl-6-methoxyphenol
methyl 2-{3-ethyl-7a-hydroxy-8-methoxy-1h,2h,3h,4h,6h,7h,12bh-indolo[2,3-a]quinolizin-2-yl}-3-methoxyprop-2-enoate
(3r,3ar,7s,8ar)-3,7-dimethyl-6-[(3r)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-3h,3ah,4h,7h,8h,8ah-cyclohepta[b]furan-2-one
(3s,3as,6r,6as,9s,9ar,9br)-3,6,9a-trimethyl-9-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydroazuleno[4,5-b]furan-2-one
3,4a,8-trimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydroazuleno[6,5-b]furan-2-one
(2e)-n-{3-[(2s,5s)-4,6-dihydroxy-5-[3-(n-hydroxyacetamido)propyl]-3-oxo-2,5-dihydropyrazin-2-yl]propyl}-5-hydroxy-3-methylpent-2-enimidic acid
(3r,3ar,4as,5s,8s,8ar,9ar)-3,5,8a-trimethyl-8-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphtho[2,3-b]furan-2-one
methyl 18-hydroxy-6,7-dimethoxy-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate
19-oxodesacetylcinobufagin
{"Ingredient_id": "HBIN002210","Ingredient_name": "19-oxodesacetylcinobufagin","Alias": "NA","Ingredient_formula": "C24H30O6","Ingredient_Smile": "CC12CCC3C(C14C(O4)C(C2C5=COC(=O)C=C5)O)CCC6C3(CCC(C6)O)C=O","Ingredient_weight": "414.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16301","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "44567217","DrugBank_id": "NA"}
7-hydroxymitragynine
{"Ingredient_id": "HBIN013289","Ingredient_name": "7-hydroxymitragynine","Alias": "NA","Ingredient_formula": "C23H30N2O5","Ingredient_Smile": "CCC1CN2CCC3(C(=NC4=C3C(=CC=C4)OC)C2CC1C(=COC)C(=O)OC)O","Ingredient_weight": "414.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10527","TCMSP_id": "NA","TCM_ID_id": "14214;19440;19441","PubChem_id": "139024851","DrugBank_id": "NA"}
aeginetic acid 5-O-β-D-quinovoside
{"Ingredient_id": "HBIN014750","Ingredient_name": "aeginetic acid 5-O-\u03b2-D-quinovoside","Alias": "NA","Ingredient_formula": "C21H34O8","Ingredient_Smile": "CC1C(C(C(C(O1)OC2(CCCC(C2(C=CC(=CC(=O)O)C)O)(C)C)C)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35195","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r,5s,10r)-2-[(2s)-2-hydroxy-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl]-6,10-dimethylspiro[4.5]dec-6-en-8-one
(1r,2s)-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene
methyl (1'r,3s,3'r,8's,9's)-9'-ethyl-2-hydroxy-5,6-dimethoxy-7'-azaspiro[indole-3,4'-tricyclo[5.3.1.0³,⁸]undecane]-3'-carboxylate
methyl (1s,15s,18r,19s,20r)-18-hydroxy-6,7-dimethoxy-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate
(2e,4e)-5-[(1r,6r)-1-hydroxy-2,2,6-trimethyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclohexyl]-3-methylpenta-2,4-dienoic acid
(1r,2s,4r,6r,7r,10s,11s,14s,16s)-14,16-dihydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecane-11-carbaldehyde
[(3s,3as,5ar,6r,9as,9bs)-6-hydroxy-3,5a-dimethyl-2-oxo-3h,3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-9-yl]methyl 2-(4-methoxyphenyl)acetate
methyl 13-ethyl-19-hydroxy-4,5-dimethoxy-1,11-diazapentacyclo[13.3.1.0²,⁷.0⁸,¹⁸.0¹²,¹⁷]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
methyl (5r,7r,8r,9s,12r,13s)-14-acetyl-16-hydroxy-4,9-dimethyl-10-oxa-4,14-diazapentacyclo[11.7.0.0¹,⁵.0⁷,¹².0¹⁵,²⁰]icosa-15,17,19-triene-8-carboxylate
14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-yl 4-hydroxy-3-methoxybenzoate
(3r,6s,12z)-5,11-dihydroxy-1,6,7-trimethyl-3-(2-methylpropyl)-12-(phenylmethylidene)-1,4,7,10-tetraazacyclododeca-4,10-diene-2,8-dione
7-(2h-1,3-benzodioxol-5-yl)-1,3-dimethoxy-6-methyl-8-(prop-1-en-2-yloxy)-5-(prop-2-en-1-yl)bicyclo[3.2.1]octan-2-one
2-[(2r,7s,8r,8ar)-2-hydroxy-8,8a-dimethyl-7-{[(2e,4e,6s)-6-methylocta-2,4-dienoyl]oxy}-3-oxo-7,8-dihydro-1h-naphthalen-2-yl]prop-2-enoic acid
(5s)-1-(4-hydroxy-3-methoxyphenyl)-3-oxotetradecane-5-sulfonic acid
C21H34O6S (414.20759840000005)