Exact Mass: 414.204228
Exact Mass Matches: 414.204228
Found 500 metabolites which its exact mass value is equals to given mass value 414.204228
,
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
LSM-1839
C26H26N2O3 (414.19433260000005)
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists
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
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.
7-Hydroxymitragynine
(1S,2S,13R,21S)-22-(Cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol
C26H26N2O3 (414.19433260000005)
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
(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
(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]
1-(4-Hydroxy-3-methoxyphenyl)-3-oxotetradecane-5-sulfonic acid
C21H34O6S (414.20759840000005)
1beta-hydroxyl-15-O-(p-methoxyphenylacetyl)-5alpha,6beta,11betaH-eudesma-3-en-12, 6alpha-olide
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
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-Pyranose-2-O-alpha-L-Fucopyranosyl-L-fucose|Me glycoside, 2-benzyl-alphaalpha-Pyranose-2-O-alpha-L-Fucopyranosyl-L-fucose
alpha,alpha-dihydro,3,5,2-trimethoxy-3-hydroxy-4-acetyl-4-isopentenylstilbene
7-Formyl-3-methylene-6E-octenol-O-beta-D-(2,6-O-diacetylglucopyranoside)|7-Formyl-3-methylene-6E-octenol-O-beta-D-<2,6-O-diacetylglucopyranoside>
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
Naltrindole
C26H26N2O3 (414.19433260000005)
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists
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 His Ser Thr
Ala His Thr Ser
Ala Ile Asp Pro
Ala Ile Pro Asp
Ala Leu Asp Pro
Ala Leu Pro Asp
Ala Met Pro Pro
Ala Asn Asn Pro
Ala Asn Pro Asn
Ala Pro Asp Ile
Ala Pro Asp Leu
Ala Pro Glu Val
Ala Pro Ile Asp
Ala Pro Leu Asp
Ala Pro Met Pro
Ala Pro Asn Asn
Ala Pro Pro Met
Ala Pro Val Glu
Ala Ser His Thr
Ala Ser Thr His
Ala Thr His Ser
Ala Thr Ser His
Ala Val Glu Pro
Ala Val Pro Glu
Cys Pro Pro Val
Cys Pro Val Pro
Cys Val Pro Pro
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 His Thr Thr
Gly Ile Glu Pro
Gly Ile Pro Glu
Gly Leu Glu Pro
Gly Leu Pro Glu
Gly Asn Pro Gln
Gly Asn Gln Pro
Gly Pro Glu Ile
Gly Pro Glu Leu
Gly Pro Ile Glu
Gly Pro Leu Glu
Gly Pro Asn Gln
Gly Pro Gln Asn
Gly Gln Asn Pro
Gly Gln Pro Asn
Gly Thr His Thr
Gly Thr Thr His
His Ala Ser Thr
His Ala Thr Ser
His Gly Thr Thr
His Ser Ala Thr
His Ser Thr Ala
His Thr Ala Ser
His Thr Gly Thr
His Thr Ser Ala
His Thr Thr Gly
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
Ile Pro Asp Ala
Ile Pro Glu Gly
Ile Pro Gly Glu
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
Met Ala Pro Pro
Met Pro Ala Pro
Met Pro Pro Ala
Asn Ala Asn Pro
Asn Ala Pro Asn
Asn Gly Pro Gln
Asn Asn Ala Pro
Asn Asn Pro Ala
Pro Ala Asp Ile
Pro Ala Asp Leu
Pro Ala Glu Val
Pro Ala Ile Asp
Pro Ala Leu Asp
Pro Ala Met Pro
Pro Ala Pro Met
Pro Ala Val Glu
Pro Cys Pro Val
Pro Cys Val Pro
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 Leu Glu
Pro Ile Ala Asp
Pro Ile Asp Ala
Pro Ile Glu Gly
Pro Ile Gly Glu
Pro Leu Ala Asp
Pro Leu Asp Ala
Pro Leu Glu Gly
Pro Leu Gly Glu
Pro Met Ala Pro
Pro Met Pro Ala
Pro Asn Asn Ala
Pro Asn Gln Gly
Pro Pro Ala Met
Pro Pro Cys Val
Pro Pro Met Ala
Pro Pro Thr Thr
Pro Pro Val Cys
Pro Gln Asn Gly
Pro Thr Pro Thr
Pro Thr Thr Pro
Pro Val Ala Glu
Pro Val Cys Pro
Pro Val Glu Ala
Pro Val Pro Cys
Gln Gly Asn Pro
Gln Gly Pro Asn
Gln Asn Gly Pro
Gln Asn Pro Gly
Gln Pro Gly Asn
Gln Pro Asn Gly
Thr Ala His Ser
Thr Ala Ser His
Thr Gly His Thr
Thr Gly Thr His
Thr His Ala Ser
Thr His Gly Thr
Thr His Ser Ala
Thr His Thr Gly
Thr Pro Pro Thr
Thr Pro Thr Pro
Thr Ser Ala His
Thr Ser His Ala
Thr Thr Gly His
Thr Thr Pro Pro
Val Ala Glu Pro
Val Ala Pro Glu
Val Cys Pro Pro
Val Glu Ala Pro
Val Glu Pro Ala
Val Pro Ala Glu
Val Pro Cys Pro
Val Pro Glu Ala
Val Pro Pro Cys
Armillaripin
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)
9β,11β-Epoxy-17,21-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione 21-Acetate
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
(1-(2-Morpholin-4-ylethyl)indol-3-yl)-4-methoxynaphthalen-1-ylmethanone
C26H26N2O3 (414.19433260000005)
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
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)
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-piperidinecarboxamide
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
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
2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
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
4-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
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
2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
4-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
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
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
(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
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
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
(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
[5-(acetyloxy)-3,4-dihydroxy-6-[(7-methyl-3-methylidene-8-oxooct-6-en-1-yl)oxy]oxan-2-yl]methyl acetate
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
butyl 3-(3-methoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoate
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
(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
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"}
(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
butyl 3-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoate
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
(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
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)
methyl (1r,5r,7s,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
1-{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 (2e)-2-[(3r,6's,7's,8'as)-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
methyl (2z)-2-[(3r,6'r,7's,8'as)-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
(1s,2s,4s,9s,10r)-14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-yl 3-hydroxy-4-methoxybenzoate
(2s,2ar,4as,7ar,7bs)-3-formyl-2a-methoxy-6,6,7b-trimethyl-1h,2h,4ah,5h,7h,7ah-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate
methyl (2e)-2-[(3s,6's,7's,8'as)-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
1-(acetyloxy)-4a-hydroxy-4,4,7,11b-tetramethyl-1h,2h,3h,5h,6h-phenanthro[3,2-b]furan-5-yl acetate
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 2-methylbut-2-enoate
methyl (1s,15r,17s,18s)-17-[(1s)-1-hydroxyethyl]-6,7-dimethoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
2-(acetyloxy)-4a-hydroxy-4,4,7,11b-tetramethyl-1h,2h,3h,5h,6h-phenanthro[3,2-b]furan-1-yl acetate
(1s,8s,9s,12r)-8-(acetyloxy)-12-formyl-5-isopropyl-1,11,11-trimethyl-10-oxotricyclo[7.3.1.0²,⁷]trideca-2(7),3,5-trien-4-yl acetate
(1s,4ar,6s,11bs)-1-(acetyloxy)-4a-hydroxy-4,4,11b-trimethyl-7-methylidene-1h,2h,3h,5h,6h,11h-phenanthro[3,2-b]furan-6-yl acetate
(1s,8z,12r,13r,14s)-14-(acetyloxy)-4,9,13,17-tetramethyl-11-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3(7),4,8,16-tetraen-12-yl acetate
[(2r,3s,4s,5r,6r)-5-(acetyloxy)-3,4-dihydroxy-6-{[(6e)-7-methyl-3-methylidene-8-oxooct-6-en-1-yl]oxy}oxan-2-yl]methyl acetate
5-(acetyloxy)-2,6,10,10-tetramethyl-4-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
n-(3-{4,6-dihydroxy-5-[3-(n-hydroxyacetamido)propyl]-3-oxo-2,5-dihydropyrazin-2-yl}propyl)-5-hydroxy-3-methylpent-2-enimidic acid
(1s,3s,5r,6r,7s,8r)-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
(8s,12s)-19,20-dimethoxy-10,10-dimethyl-9,11-dioxatetracyclo[15.3.1.1²,⁶.0⁸,¹²]docosa-1(20),2(22),3,5,17(21),18-hexaene-3,18-diol
(1s,2r,5r,6r,7s,9r)-5-(acetyloxy)-2,6,10,10-tetramethyl-4-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1r,10s,11s,12s)-3-hydroxy-4-isopropyl-10-methoxy-7,13,13-trimethyl-18-oxatetracyclo[9.5.2.0¹,¹².0²,⁹]octadeca-2(9),3,7-triene-5,6,17-trione
6,8-dihydroxy-9-isopropyl-2,2,4,4-tetramethyl-5-(2-methylpropanoyl)-9h-xanthene-1,3-dione
methyl 5,6-dimethoxy-1'-methyl-1,1',2,4'a,5',5'a,7',8',10',10'a-decahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate
14-acetyl-2,6,6,11,15-pentamethyl-18-oxapentacyclo[8.7.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁵]octadecane-5,9,12,17-tetrone
(1s,2s,7r,10s,11r,14s,15r)-14-acetyl-2,6,6,11,15-pentamethyl-18-oxapentacyclo[8.7.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁵]octadecane-5,9,12,17-tetrone
methyl (1s,10s,15r,17s,18s)-17-ethyl-10-hydroxy-6,7-dimethoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2,4,6,8-tetraene-1-carboxylate
(2e)-n-{3-[(2s,5s)-3,6-dihydroxy-5-[3-(n-hydroxyacetamido)propyl]-2,5-dihydropyrazin-2-yl]propyl}-n,5-dihydroxy-3-methylpent-2-enamide
n-{2-hydroxy-1-[(2r,5s,6r)-5-hydroxy-6-methyloxan-2-yl]pyrimidin-4-ylidene}-4-[(3-oxobutan-2-yl)amino]benzamide
C21H26N4O5 (414.19031060000003)
3-(acetyloxy)-4a-hydroxy-4,4,7,11b-tetramethyl-1h,2h,3h,5h,6h-phenanthro[3,2-b]furan-1-yl acetate
(1s,8r,9s,12r)-8-(acetyloxy)-12-formyl-5-isopropyl-1,11,11-trimethyl-10-oxotricyclo[7.3.1.0²,⁷]trideca-2(7),3,5-trien-4-yl acetate
methyl (1r,5r,7r,8r,9r,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
(3s,4r,5r)-3-(2,4-dihydroxybenzoyl)-5-[(4e)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-4,5-dimethyloxolan-2-one
methyl (1r,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
(3s,4r,5r)-3-(2,4-dihydroxybenzoyl)-5-(4,8-dimethyl-6-oxonona-4,7-dien-1-yl)-4,5-dimethyloxolan-2-one
methyl 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
6-[(acetyloxy)methyl]-6,9a-dimethyl-3-oxo-octahydro-1h-naphtho[1,2-c]furan-5-yl benzoate
(1r,2s,4s,9r,10r)-14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-yl 4-hydroxy-3-methoxybenzoate
methyl 17-(1-hydroxyethyl)-6,7-dimethoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
8-(acetyloxy)-12-formyl-5-isopropyl-1,11,11-trimethyl-10-oxotricyclo[7.3.1.0²,⁷]trideca-2(7),3,5-trien-4-yl acetate
(2s,7ar,7bs)-3-formyl-2a-methoxy-6,6,7b-trimethyl-1h,2h,4ah,5h,7h,7ah-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate
methyl (2z)-2-[(3r,6's,7'r,8'as)-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
2-{2-hydroxy-8,8a-dimethyl-7-[(6-methylocta-2,4-dienoyl)oxy]-3-oxo-7,8-dihydro-1h-naphthalen-2-yl}prop-2-enoic acid
(3r,3as,3bs,5ar,9as,11as)-1-acetyl-3,3b-dihydroxy-3a,6,6,9a,11a-pentamethyl-3h,5h,5ah,8h,9h-cyclopenta[a]phenanthrene-4,7,11-trione
4-{2-[3,5-dimethoxy-4-(3-methylbut-2-en-1-yl)phenyl]ethyl}-2-hydroxy-3-methoxyphenyl acetate
n-(3-{3,6-dihydroxy-5-[3-(n-hydroxyacetamido)propyl]-2,5-dihydropyrazin-2-yl}propyl)-n,5-dihydroxy-3-methylpent-2-enamide
(2r,4s,4ar,7as,7br)-3-formyl-4-hydroxy-6,6,7b-trimethyl-1h,2h,4h,4ah,5h,7h,7ah-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate
(9s)-6,8-dihydroxy-9-isopropyl-2,2,4,4-tetramethyl-7-(2-methylpropanoyl)-9h-xanthene-1,3-dione
3-hydroxy-4-isopropyl-10-methoxy-7,13,13-trimethyl-18-oxatetracyclo[9.5.2.0¹,¹².0²,⁹]octadeca-2(9),3,7-triene-5,6,17-trione
19,20-dimethoxy-10,10-dimethyl-9,11-dioxatetracyclo[15.3.1.1²,⁶.0⁸,¹²]docosa-1(20),2(22),3,5,17(21),18-hexaene-3,18-diol
(2r,2as,4as,7as,7br)-3-formyl-2a-hydroxy-6,6,7b-trimethyl-1h,2h,4ah,5h,7h,7ah-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate
8-acetyl-6-hydroxy-5-methoxy-13,16-dimethyl-12-oxa-8,16-diazapentacyclo[8.8.3.0¹,⁹.0²,⁷.0¹⁴,²¹]henicosa-2,4,6-trien-19-one
4-(acetyloxy)-1-formyl-3-isopropyl-8,10a-dimethyl-7-methylidene-6h,6ah,8h,9h,10h-benzo[c]isochromen-6-yl acetate
1-[10-(dimethoxymethyl)-3-methoxy-12-methyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-3-methylbutyl acetate
(1s,4ar,5s,11bs)-1-(acetyloxy)-4a-hydroxy-4,4,7,11b-tetramethyl-1h,2h,3h,5h,6h-phenanthro[3,2-b]furan-5-yl acetate
methyl 2-[(3r,6's,7'r,8'as)-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
methyl 10'-hydroxy-2,2,2',6',9'-pentamethyl-12'-methylidene-6,11'-dioxospiro[pyran-3,5'-tricyclo[7.2.1.0²,⁷]dodecan]-6'-ene-1'-carboxylate
4'-hydroxy-2'-(hydroxymethyl)-4',6'-dimethyl-7'a-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2',3'a-dihydro-1'h-spiro[cyclopropane-1,5'-inden]-3'-one
n-[2-hydroxy-1-(5-hydroxy-6-methyloxan-2-yl)pyrimidin-4-ylidene]-4-[(3-oxobutan-2-yl)amino]benzamide
C21H26N4O5 (414.19031060000003)