Exact Mass: 414.2031206
Exact Mass Matches: 414.2031206
Found 500 metabolites which its exact mass value is equals to given mass value 414.2031206
,
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
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Ala Glu Pro Val
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Ala His Ser Thr
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Ala Pro Glu Val
Ala Pro Ile Asp
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Glu Ala Pro Val
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Glu Gly Ile Pro
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Glu Pro Gly Ile
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Glu Pro Ile Gly
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Gly Glu Ile Pro
Gly Glu Leu Pro
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Gly Asn Pro Gln
Gly Asn Gln Pro
Gly Pro Glu Ile
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Gly Pro Ile Glu
Gly Pro Leu Glu
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Gly Thr His Thr
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Ile Ala Asp Pro
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Ile Glu Pro Gly
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Pro Ala Asp Ile
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Pro Asp Ala Ile
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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
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Pro Ile Gly Glu
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Val Glu Pro Ala
Val Pro Ala Glu
Val Pro Cys Pro
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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)