Exact Mass: 414.1954754
Exact Mass Matches: 414.1954754
Found 500 metabolites which its exact mass value is equals to given mass value 414.1954754
,
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.
(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)
1,4-Bis((m-methoxyphenoxy)acetyl)piperazine
2-[[(2S)-1-[[(2S)-2-Carboxy-2-hydroxyethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-phenylbutanoic acid
Momelotinib
C23H22N6O2 (414.18041519999997)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
3-[2-[4-(3-Chloro-2-methylphenyl)piperazin-1-yl]ethyl]-5,6-dimethoxy-2H-indazole
2,6-Bis(4-ethylphenyl)perhydro-1,3,5,7-tetraoxanaphth-4-ylethane-1,2-diol
11-hydroxy-12-methoxy-19alpha-methyl-2-oxo-(20alpha)-formosanane-16-carboxylic acid methyl ester|O11-demethyl-majdine|Vinerinin|vinerinine
(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
(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
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
N-methylhydrasteine hydroxy lactam|N-methylhydrasteine hydroxylactam
1alpha,6alpha-diacetoxy-ent-kaura-9(11),16-dien-12,15-dione
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>
5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
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
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 Gly Gln Pro
Asn Asn Ala Pro
Asn Asn Pro Ala
Asn Pro Ala Asn
Asn Pro Gly Gln
Asn Pro Asn Ala
Asn Pro Gln Gly
Asn Gln Gly Pro
Asn Gln Pro Gly
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 Asn Asn
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 Gly Asn Gln
Pro Gly Gln Asn
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 Ala Asn
Pro Asn Gly Gln
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 Gly Asn
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
Ser Ala His Thr
Ser Ala Thr His
Ser His Ala Thr
Ser His Thr Ala
Ser Thr Ala His
Ser Thr His Ala
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 His Gly
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
SU 11652
Armillaripin
4-O-Methylmelleolide
Armillarin
Clausarinol
Doxapram hydrochloride
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D019141 - Respiratory System Agents
GR 159897
GR 159897 is a highly potent, selective, competitive, brain-penetrated non-peptide neurokinin 2 (NK2) receptor antagonist. GR 159897 has little or no affinity for NK1 and NK3 receptors. GR 159897 inhibits binding of [3H]GR100679 to human NK2 (hNK2)-CHO cells and rat colon membranes with pKis of 9.51 and 10, respectively. Antagonizes bronchoconstriction. Anxiolytic-like and anti-tumor effects[1][2].
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
3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-9-ethyl-3H-carbazolium chloride
C27H27ClN2 (414.18626520000004)
(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
5-[(Z)-(5-chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
4-Chloro-N-(3-Methoxypropyl)-N-[(3s)-1-(2-Phenylethyl)piperidin-3-Yl]benzamide
N-{2-[6-(2,4-Diamino-6-ethylpyrimidin-5-YL)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-YL]ethyl}acetamide
Momelotinib
C23H22N6O2 (414.18041519999997)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
N1-citryl-N3-dec-2-enoyl-N3-hydroxy-1,3-diaminopropane
5-Fluoro-3-[2-[4-methoxy-4-[[(R)-phenylsulphinyl]methyl]-1-piperidinyl]ethyl]-1H-indole
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
Ala-Asn-Asn-Pro
A tetrapeptide composed of an L-alanyl, two L-asparagyl units, and an L-proline joined by peptide linkages.
(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)
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
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
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
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
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
[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
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
methyl (1's,3r,4'as,5'as,10'as)-2,6-dihydroxy-7-methoxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate
(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
5-bromo-14-isopropyl-11-methoxy-4,8-dimethyltetracyclo[10.2.1.0¹,¹⁰.0⁴,⁹]pentadecane-7,8-diol
C21H35BrO3 (414.17694200000005)
methyl (3s,5r,6r,9s,10r)-6-hydroxy-5-[(1s)-1-hydroxyethyl]-4-methyl-12-oxo-7-oxa-4,14-diazapentacyclo[11.7.0.0³,⁹.0⁵,¹⁰.0¹⁵,²⁰]icosa-1(13),15,17,19-tetraene-9-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
4-[(1s,3ar,4r,6ar)-4-(3-ethyl-4-hydroxy-5-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-ethyl-6-methoxyphenol
(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
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"}
alkaloid us-7
{"Ingredient_id": "HBIN015176","Ingredient_name": "alkaloid us-7","Alias": "NA","Ingredient_formula": "C22H26N2O6","Ingredient_Smile": "CCC(=O)C(CC1C2(CCN1C=O)C3=CC=CC=C3NC2=O)C(=COC)C(=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "906","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alkaloid us-8
{"Ingredient_id": "HBIN015177","Ingredient_name": "alkaloid us-8","Alias": "NA","Ingredient_formula": "C22H26N2O6","Ingredient_Smile": "CCC(=O)C(CC1C2(CCN1C=O)C3=CC=CC=C3NC2=O)C(=COC)C(=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "907","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,2s)-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene
butyl 3-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoate
(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
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)
(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 (1s,9r,16r,17r,18r,21r)-4,17,18-trihydroxy-5-methoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7,14-tetraene-18-carboxylate
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
2-(acetyloxy)-4a-hydroxy-4,4,7,11b-tetramethyl-1h,2h,3h,5h,6h-phenanthro[3,2-b]furan-1-yl acetate
methyl (3s,5r,6s,9s,10r)-6-hydroxy-5-[(1r)-1-hydroxyethyl]-4-methyl-12-oxo-7-oxa-4,14-diazapentacyclo[11.7.0.0³,⁹.0⁵,¹⁰.0¹⁵,²⁰]icosa-1(13),15,17,19-tetraene-9-carboxylate
(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
(1s,4s,5s,7s,8s,9s,10s,11s,12s,14s)-5-bromo-14-isopropyl-11-methoxy-4,8-dimethyltetracyclo[10.2.1.0¹,¹⁰.0⁴,⁹]pentadecane-7,8-diol
C21H35BrO3 (414.17694200000005)
6-methoxy-5,8-dimethyl-3h,4h-pyrano[3,4-c]pyridin-1-one; 8-methoxy-5,6-dimethyl-3h,4h-pyrano[3,4-c]pyridin-1-one
[(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
methyl 4,17,18-trihydroxy-5-methoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7,14-tetraene-18-carboxylate
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
n-{6-[(r)-(acetyloxy)(phenyl)methyl]-1-(2-hydroxyethyl)-4-oxopyridine-3-carbonyl}-3-methylbutanimidic 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
n-{6-[(acetyloxy)(phenyl)methyl]-1-(2-hydroxyethyl)-4-oxopyridine-3-carbonyl}-3-methylbutanimidic acid
(2r)-n-{6-[(s)-(acetyloxy)(phenyl)methyl]-1-(2-hydroxyethyl)-4-oxopyridine-3-carbonyl}-2-methylbutanimidic acid
(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
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
(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
(3s)-2-{[(1r)-1-[5-acetyl-2-(hydroxymethyl)-4-oxopyridin-1-yl]-2-methylpropyl]imino}-3-hydroxy-4-phenylbutanoic acid
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
(3s,4r,5r)-3-(2,4-dihydroxybenzoyl)-5-[(4e)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-4,5-dimethyloxolan-2-one
(3s,4r,5r)-3-(2,4-dihydroxybenzoyl)-5-(4,8-dimethyl-6-oxonona-4,7-dien-1-yl)-4,5-dimethyloxolan-2-one
1-({6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}methyl)-4,5-dimethoxyisoindole-1,3-diol
6-[(acetyloxy)methyl]-6,9a-dimethyl-3-oxo-octahydro-1h-naphtho[1,2-c]furan-5-yl benzoate
7-[(4-hydroxyphenyl)methyl]-8-methoxy-2,2-dimethyl-5h,6h-naphtho[2,1-f]chromen-10-ol
methyl (1s,9s,10s,11r,12r)-8-formyl-12-[(1r)-1-hydroxyethyl]-6-methoxy-17-oxo-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0⁹,¹⁴]octadeca-2,4,6-triene-10-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
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
methyl (3ar,4s,11br)-3-acetyl-4-ethyl-4-formyl-10-hydroxy-9-methoxy-1h,2h,3ah,5h,7h-pyrrolo[2,3-f]carbazole-6-carboxylate
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
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)