Exact Mass: 398.21268340000006
Exact Mass Matches: 398.21268340000006
Found 308 metabolites which its exact mass value is equals to given mass value 398.21268340000006,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Mitragynine
Mitragynine itself acts primarily via -opioid receptors, although its oxidation product mitragynine-pseudoindoxyl, which is likely to be a major component of kratom that has been aged or stored for extended periods, acts as a fairly selective -opioid agonist with little affinity for receptors. Another alkaloid with a major contribution to the opioid activity of the kratom plant is the related compound 7-hydroxymitragynine, which while present in the plant in much smaller quantities than mitragynine, is a much more potent opioid agonist. Mitragynine is a monoterpenoid indole alkaloid. Mitragynine is a natural product found in Mitragyna speciosa with data available.
Pholcodine
Pholcodine is a Schedule I drug in the US. It is also a class B substance in the United Kingdom although can be purchased over-the-counter in most UK pharmacies. Pholcodine is a drug which is an opioid cough suppressant (antitussive). It helps suppress unproductive coughs and also has a mild sedative effect, but has little or no analgesic effects. It is also known as morpholinylethylmorphine. R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants > R05DA - Opium alkaloids and derivatives D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
Galbanic acid
Galbanic acid is a constituent of Ferula gummosa (galbanum) and other Ferula species
Kamolonol
Constituent of Ferula assa-foetida (asafoetida). Kamolonol is found in herbs and spices and green vegetables. Kamolonol is found in green vegetables. Kamolonol is a constituent of Ferula assa-foetida (asafoetida).
Mammea C/AB cyclo D
Mammea C/AB cyclo D is found in fruits. Mammea C/AB cyclo D is isolated from Mammea americana (mamey). Isolated from Mammea americana (mamey). Mammea C/AB cyclo D is found in fruits.
Asacoumarin A
Isolated from Ferula assa-foetida (asafoetida). Asacoumarin A is found in herbs and spices and green vegetables. Asacoumarin A is found in green vegetables. Asacoumarin A is isolated from Ferula assa-foetida (asafoetida).
5-Hydroxy-8,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-pentyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one
5-Hydroxy-8,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-pentyl-2H,8H-benzo[1,2-b:3,4-b]dipyran-2-one is found in fruits. 5-Hydroxy-8,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-pentyl-2H,8H-benzo[1,2-b:3,4-b]dipyran-2-one is isolated from Mammea americana (mamey). Isolated from Mammea americana (mamey). 5-Hydroxy-8,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-pentyl-2H,8H-benzo[1,2-b:3,4-b]dipyran-2-one is found in fruits.
Sunitinib
Sunitinib is an oral, small-molecule, multi-targeted receptor tyrosine kinase (RTK) inhibitor that was approved by the FDA for the treatment of renal cell carcinoma (RCC) and imatinib-resistant gastrointestinal stromal tumor (GIST) on January 26, 2006. Sunitinib inhibits cellular signaling by targeting multiple RTKs. These include all platelet-derived growth factor receptors (PDGF-R) and vascular endothelial growth factor receptors (VEGF-R). Sunitinib also inhibits KIT (CD117), the RTK that drives the majority of GISTs. In addition, sunitinib inhibits other RTKs including RET, CSF-1R, and flt3. C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163999 - cKIT-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159198 - c-KIT Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D006133 - Growth Substances > D006131 - Growth Inhibitors
Armillaribin
Armillaribin is found in mushrooms. Armillaribin is a metabolite of Armillaria mellea (honey mushroom Metabolite of Armillaria mellea (honey mushroom). Armillaribin is found in mushrooms.
Ramipril Diketopiperazine
Ramipril Diketopiperazine is a metabolite of ramipril. Ramipril is an angiotensin-converting enzyme (ACE) inhibitor, used to treat high blood pressure and congestive heart failure. It is marketed as Prilace by Arrow Pharmaceuticals in Australia, Ramipro by Westfield Pharma in the Philippines, Tritace by Sanofi-Aventis in Italy and United States and Altace by King Pharmaceuticals in the United States, Ramitens by PharmaSwiss, Ampril by Krka in Slovenia, Corpril by Cemelog-BRS in Hungary, Piramil and Prilinda by Hemofarm in Serbia, by Lek in Poland and by Novartis in Bangladesh, and in Canada as Altace (Sonfi) and Ramipril (Pharmascience). (Wikipedia)
Pregnanolone sulfate
C21H34O5S (398.21268340000006)
Pregnanolone sulfate (PAS) belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. Pregnanolone sulfate is an endogenous steroid that inhibits neuron N-methyl-D-aspartate (NMDA) receptors by inducing desensitization of activated NMDA receptors (PMID: 19474309).
Allopregnanolone sulfate
C21H34O5S (398.21268340000006)
Allopregnanolone sulfate belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. Allopregnanolone sulfate has been identified in the human placenta (PMID: 32033212).
(E)-Methyl 2-((2S,3S,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-3-methoxyacrylate
N-(2-(Diethylamino)ethyl)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
beraprost
Ferulsinaic acid
3alpha-Hydroxy-5alpha-pregnan-20-one sulfate
C21H34O5S (398.21268340000006)
Malagashanine
Taprostene
2-(2-(4-(2-Fluoroethoxy)phenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)-N,N-diethylacetamide
desacetoxyvindoline
Desacetoxyvindoline is a member of the class of compounds known as plumeran-type alkaloids. Plumeran-type alkaloids are alkaloids with a structure based on the plumeran skeleton. Plumeran is a pentacyclic compound that consists of a pyrrolidine ring shed to the quinoline moiety of pyrido[3,2-c]carbazole ring system. Desacetoxyvindoline is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Desacetoxyvindoline can be found in a number of food items such as welsh onion, kiwi, white cabbage, and pecan nut, which makes desacetoxyvindoline a potential biomarker for the consumption of these food products. Desacetoxyvindoline is a terpene idole alkaloid produced by the plant Catharanthus roseus. Desacetoxyvindoline is a product formed by the methylation of the nitrogen on the indole ring by the enzyme 3-hydroxy-16-methoxy-2,3-dihydrotabersonine N-methyltransferase (NMT). The metabolite is a substrate for desacetoxyvindoline 4-hydroxylase (D4H) which catalyzes a hydroxylation to yield deacetylvindoline .
6,10,10-Trimethylspiro[bicyclo[7.2.0]undec-5-ene-2,2-oxirane]-4,8-diol 4-acetate 8-benzoate
Ferulsinaic acid
A member of the class of coumarins that is 2H-chromen-2-one substituted by a [(1R,2R,3S,5S)-2-(2-carboxyethyl)-2,5-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopentyl]methoxy group at position 7. It is isolated from the roots of Ferula sinaica.
3-Hydroxy-5-methyl-2-[8-oxo-9-hydroxyfarnesyl]-coumaran-3-one
3-oxo-20beta,21beta-epoxy-resibufogenin|3-oxo-20S,21-epoxyresibufogenin
7-{5-[(1R,6S)-6-hydroxy-2,2,6-trimethyl-3-oxocyclohexyl]-3-methylpent-2-enyloxy}chromen-2-one|Kopeolone
4-[(2E)-7-Hydroxy-3,7-dimethyloct-2-enyl]-2,3,4,5-tetrahydroxy-trans-stilbene
3-acetoxy-16-methoxy-1,4-dimethyl-6,7-didehydro-21-nor-aspidospermidin-3-ol|Vimdolin
11(S*)-acetoxy-15(S*)-hydroxy-17-chloro-2(R*),12(R*)-epoxy-(3E,7E)-1(S*)-cembra-3,7-diene
C22H35ClO4 (398.22237400000006)
3beta-Sulfooxy-5alpha-pregnanon-(20)|3beta-sulfooxy-5alpha-pregnanone-(20)|3beta5alpha-pregnanolone sulphate|epiallopregnanolone-sulfate|Isopregnanolone sulfate|Sulfat des 3beta-Hydroxy-5alpha-pregnanons-(20)
C21H34O5S (398.21268340000006)
2,3:6,7-dianhydro-1,4,5-trideoxy-1-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-2-oxo-2H-chromen-3-yl]-3,7,7-trimethyl-D-erythro-heptitol|clauslactone U
aspidospermidine-1,3-dicarboxylic acid dimethyl ester|Eburcin
11-methoxystrychnofendlerine|11-Methyoxystrychnofendlerine
Di-Ac-19(4鈥樏傗垎3)-Abeo-11,12-dihydroxy-4(18),8,11,13-abietatetraen-7-one
1-acetyl-10,11-dimethoxy-4-methyl-3,4-seco-condyfol-14(19)en-3-one|Geissovellin|Geissovelline
1beta-(E-cinnamoyloxy)-6alpha-hydroxyisodrimeninol
7-methoxy-11,16-diketo-apian-8,14-dien-(22,6)-olide
(1R,5S,8R)-1,3,5-trimethyl-8-((E)-2-oxohept-5-enyl)-2-((3E,5E)-2-oxohepta-3,5-dienyl)-6-oxabicyclo[3.2.1]oct-2-ene-4,7-dione|dihydrotrichodermolide
2,3-dihydro-7-hydroxy-2-(1-hydroxy-1,5,9-trimethyldeca-4,8-dienyl)furo[3,2-c]coumarin|fukanefuromarin L
3,4-dihydro-3,8-dihydroxy-2-(4,8-dimethylnona-3(E),7-dienyl)-2-methyl-2H-pyrano[3,2-c]coumarin|fukanefuromarin M
baigene A|rel-(2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,4-dihydro-3,8-dihydroxy-2-methyl-2H,5H-[2,3-b][1]benzopyran-5-one
6-[(7-Coumarinyloxy)methyl]-alpha,2,3,6-tetramethyl-2-cyclohexene-1-butyric acid
N-((+)-cucurbinoyl)-S-tryptophan|N-<(+)-cucurbinoyl>-S-tryptophan|N-Cucurbinoyltryptophan
Taprostene
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D002317 - Cardiovascular Agents
Beraprost
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C78568 - Prostaglandin Analogue
C24H30O5_2,4-Octadienoic acid, 6-methyl-, (1R,2S,7R,8aR)-7-(1-formylethenyl)-1,2,6,7,8,8a-hexahydro-7-hydroxy-1,8a-dimethyl-6-oxo-2-naphthalenyl ester, (2E,4E,6R)
PHOLCODINE
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants > R05DA - Opium alkaloids and derivatives A morphinane alkaloid that is a derivative of morphine with a 2-morpholinoethyl group at the 3-position. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
Galbanic acid
Origin: Plant, Coumarins, Coumarin terpenoids, Sesquiterpenoids, Ferula terpenoids
Pro Pro Ser Val
Pro Pro Val Ser
Pro Ser Pro Val
Pro Ser Val Pro
Pro Val Pro Ser
Pro Val Ser Pro
Ser Pro Pro Val
Ser Pro Val Pro
Ser Val Pro Pro
Val Pro Pro Ser
Val Pro Ser Pro
Val Ser Pro Pro
Pregnanalone sulfate (Allopregnanolone sulfate)
C21H34O5S (398.21268340000006)
Sunitinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163999 - cKIT-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159198 - c-KIT Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D006133 - Growth Substances > D006131 - Growth Inhibitors
Asacoumarin B
Armillaribin
Mammea C/AB cyclo D
Asacoumarin A
5-hydroxy-8,8-dimethyl-6-(3-methylbutanoyl)-4-pentyl-2H,8H-pyrano[2,3-h]chromen-2-one
Kamolonol
methyl 2-[4-[[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]phenyl]methyl]anilino]-2-methylpropanoate
17-alpha,21-Dihydroxy-16-alpha-Methylpregna-1,4,9(11)-Triene-3,20-Dione 21-Acetate
Flumedroxone
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CB - Corticosteroid derivatives C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-methylphenyl)-N-[(4-methylphenyl)methyl]- (9CI)
1,6-diisocyanatohexane,2-hydroxyethyl prop-2-enoate,oxepan-2-one
3-methyl-5-[2-phenyl-5-(piperidin-4-ylmethoxy)pyridin-3-yl]-2H-indazole
ethyl 3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-1-carboxylate
C20H26N6O3 (398.20662860000004)
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(4-methylphenyl)-N-[(4-methylphenyl)methyl]- (9CI)
3-(2-Naphthalen-1-yl-ethyl)-3-[2-(tetrahydro-pyran-2-yl)-ethyl]-pentanedioic acid
2-(2-(4-(2-Fluoroethoxy)phenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)-N,N-diethylacetamide
Flutropium
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
1-[(4-Methylphenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
N-[3-fluoro-4-(4-phenyl-1-piperazinyl)phenyl]-2-(4-morpholinyl)acetamide
1-[(4-Methylphenyl)methyl]-4-[4-(4-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
N-{2-[6-(2,4-Diamino-6-ethylpyrimidin-5-YL)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-YL]ethyl}acetamide
C20H26N6O3 (398.20662860000004)
2,3-Diphenyl-N-(2-piperazin-1-ylethyl)furo[2,3-B]pyridin-4-amine
[(2R,4aS,7aS,7bR)-3-formyl-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate
[(2R,3S,4S,5S,7S,8R)-1-[[(2S)-1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]amino]-8-azaniumyl-2,3,5,7,9-pentahydroxy-1-oxononan-4-yl]azanium
3-[1,3-Dimethyl-5-(2-methylprop-1-enyl)-2-[(2-oxochromen-7-yl)oxymethyl]cyclopentyl]propanoic acid
3-[(Z)-[4-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]methyl]benzoic acid
[(E)-2-[(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-hydroxyethenyl] hydrogen sulfate
C21H34O5S (398.21268340000006)
N-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-piperidinecarboxamide
methyl (1S,15S,17S)-17-ethyl-6,7-dimethoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
Cyclohexyl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]methanone
N-[[(2S,3S,4R)-3-[4-(1-cyclopentenyl)phenyl]-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide
N-[[(2R,3R,4S)-3-[4-(1-cyclopentenyl)phenyl]-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide
N-[[(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide
N-[[(2S,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide
2-cyclopropyl-1-[(2R,3R)-2-(hydroxymethyl)-6-[4-oxanyl(oxo)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
2-cyclopropyl-1-[(2S,3S)-2-(hydroxymethyl)-6-[4-oxanyl(oxo)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
1-[(2S,3S)-3-[4-(1-cyclopentenyl)phenyl]-2-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-1,6-diazaspiro[3.3]heptan-6-yl]-1-propanone
N-[[(2S,3R,4S)-3-[4-(1-cyclopentenyl)phenyl]-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide
N-[[(2S,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide
N-[[(2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide
N-[[(2R,3S,4R)-3-[4-(1-cyclopentenyl)phenyl]-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide
2-cyclopropyl-1-[(2S,3R)-2-(hydroxymethyl)-6-[4-oxanyl(oxo)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
3alpha-Hydroxy-5beta-pregnane-20-one sulfate
C21H34O5S (398.21268340000006)
5-Hydroxy-8,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-pentyl-2H,8H-benzo[1,2-b:3,4-b]dipyran-2-one
3-[(1r,2s,3s)-2,3-dimethyl-2-{[(2-oxochromen-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl]propanoic acid
7-{[(1r,2r,4r,4ar,5r,8as)-4-hydroxy-1,2,4a,5-tetramethyl-6-oxo-hexahydro-2h-naphthalen-1-yl]methoxy}chromen-2-one
methyl (2e)-2-[(2s,3s,12br)-3-ethyl-8-methoxy-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
5-{10-[6-(methoxycarbonyl)pyridin-3-yl]decyl}pyridine-2-carboxylic acid
7-{[(1r,2r,4r,4as,5r,8as)-4-hydroxy-1,2,4a,5-tetramethyl-6-oxo-hexahydro-2h-naphthalen-1-yl]methoxy}chromen-2-one
2-hydroxy-2-[(6e)-9-hydroxy-3,7,11-trimethyl-8-oxododeca-2,6,10-trien-1-yl]-4-methyl-1-benzofuran-3-one
7-{[(1r,2r,4as,8ar)-2-hydroxy-2,5,5,8a-tetramethyl-6-oxo-hexahydronaphthalen-1-yl]methoxy}chromen-2-one
4-chloro-2-[(2e)-7,11-dihydroxy-3,7,11-trimethyldodec-2-en-1-yl]-5-methylbenzene-1,3-diol
C22H35ClO4 (398.22237400000006)
7-{[(1s,2r,4ar,8as)-2-hydroxy-2,5,5,8a-tetramethyl-6-oxo-hexahydronaphthalen-1-yl]methoxy}chromen-2-one
methyl 2-[(1r,9r,12r,19r)-8-acetyl-6-methoxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6-trien-12-yl]acetate
(1r,3as,7s,9as,11ar)-3a,7-dihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-9a-carbaldehyde
3-[(1r,2r,3s,5s)-1,3-dimethyl-5-(2-methylprop-1-en-1-yl)-2-{[(2-oxochromen-7-yl)oxy]methyl}cyclopentyl]propanoic acid
7-{[(2e)-5-[(1r,2r,5s,8r)-2-hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpent-2-en-1-yl]oxy}chromen-2-one
(1r,2s,4s,5e,8s,9s)-4-(acetyloxy)-6,10,10-trimethylspiro[bicyclo[7.2.0]undecane-2,2'-oxiran]-5-en-8-yl benzoate
5-{3a,11-dihydroxy-9a,11a-dimethyl-7-oxo-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}pyran-2-one
7-{[(1s,2r,4r,4as,5r,8as)-4-hydroxy-1,2,4a,5-tetramethyl-6-oxo-hexahydro-2h-naphthalen-1-yl]methoxy}chromen-2-one
2-hydroxy-2-(11-hydroxy-3,7,11-trimethyl-8-oxododeca-2,6,9-trien-1-yl)-4-methyl-1-benzofuran-3-one
(1r,3as,7s,9as,9bs,11ar)-3a,7-dihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-9a-carbaldehyde
5-[(1e)-2-(2,4-dihydroxyphenyl)ethenyl]-2-[(2e)-7-hydroxy-3,7-dimethyloct-2-en-1-yl]benzene-1,3-diol
1-{7-hydroxy-8-methoxy-17-oxa-5,15-diazahexacyclo[13.4.3.0¹,¹⁶.0⁴,¹².0⁶,¹¹.0¹²,¹⁶]docosa-6(11),7,9-trien-5-yl}propan-1-one
methyl (1r,5r,7r,8r,9r,12r,13s)-14-acetyl-4,9-dimethyl-10-oxa-4,14-diazapentacyclo[11.7.0.0¹,⁵.0⁷,¹².0¹⁵,²⁰]icosa-15,17,19-triene-8-carboxylate
(6ar)-3,6a-dimethyl-9-[(2s)-2-methyldecanoyl]furo[2,3-h]isochromene-6,8-dione
5-[(1r,3as,3br,9as,9bs,11ar)-3a-hydroxy-9a-(hydroxymethyl)-11a-methyl-7-oxo-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]pyran-2-one
(2r)-2-hydroxy-2-[(2e,6e,9e)-11-hydroxy-3,7,11-trimethyl-8-oxododeca-2,6,9-trien-1-yl]-4-methyl-1-benzofuran-3-one
1,3,5-trimethyl-8-(2-oxohept-5-en-1-yl)-2-(2-oxohepta-3,5-dien-1-yl)-6-oxabicyclo[3.2.1]oct-2-ene-4,7-dione
3-oxo-11α-hydroxy-12-dehydroxy-scilliphaeo-sidin
{"Ingredient_id": "HBIN009395","Ingredient_name": "3-oxo-11\u03b1-hydroxy-12-dehydroxy-scilliphaeo-sidin","Alias": "NA","Ingredient_formula": "C24H30O5","Ingredient_Smile": "CC12CCC(=O)C=C1CCC3C2C(CC4(C3(CCC4C5=COC(=O)C=C5)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16338","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-oxo-20s,21-epoxyresibufogenin
{"Ingredient_id": "HBIN009399","Ingredient_name": "3-oxo-20s,21-epoxyresibufogenin","Alias": "NA","Ingredient_formula": "C24H30O5","Ingredient_Smile": "CC12CCC(=O)CC1CCC3C2CCC4(C35C(O5)CC4C67C=CC(=O)OC6O7)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16318","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-[(2''e)-7''-hydroxy-3'',7''-dimethyloct-2''-enyl]-2',3,4',5-tetrahydroxy-trans-stilbene
{"Ingredient_id": "HBIN009876","Ingredient_name": "4-[(2''e)-7''-hydroxy-3'',7''-dimethyloct-2''-enyl]-2',3,4',5-tetrahydroxy-trans-stilbene","Alias": "NA","Ingredient_formula": "C24H30O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10053","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acetyl-alstohentine
{"Ingredient_id": "HBIN014446","Ingredient_name": "acetyl-alstohentine","Alias": "NA","Ingredient_formula": "C23H30N2O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "310","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
assafoetidnol a
{"Ingredient_id": "HBIN017162","Ingredient_name": "assafoetidnol a","Alias": "NA","Ingredient_formula": "C24H30O5","Ingredient_Smile": "CC1(C(CCC2(C1C(CC(=C)C2COC3=CC4=C(C=C3)C=CC(=O)O4)O)C)O)C","Ingredient_weight": "398.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1910","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "12041593","DrugBank_id": "NA"}
(1r,3as,3br,5as,9as,9bs,11ar)-3a,5a-dihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-9a-carbaldehyde
7-{[5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-en-1-yl]oxy}-8-[(3,3-dimethyloxiran-2-yl)methyl]chromen-2-one
(1r,5s,8r)-1,3,5-trimethyl-8-[(5e)-2-oxohept-5-en-1-yl]-2-[(3e,5e)-2-oxohepta-3,5-dien-1-yl]-6-oxabicyclo[3.2.1]oct-2-ene-4,7-dione
n-[2-(diethylamino)ethyl]-5-{[(3z)-5-fluoro-2-hydroxyindol-3-ylidene]methyl}-2,4-dimethyl-1h-pyrrole-3-carboximidic acid
7-{[(1s,4r,4as,6r,8ar)-4,6-dihydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}chromen-2-one
3-({3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl}methyl)-7-hydroxy-6-(2-methylbut-3-en-2-yl)chromen-2-one
(3r)-5-[2-(3,4-dihydroxyphenyl)ethyl]-2,2-dimethyl-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-1-benzopyran-3,7-diol
7-{[(1s,2r,4ar,8ar)-2-hydroxy-2,5,5,8a-tetramethyl-6-oxo-hexahydronaphthalen-1-yl]methoxy}chromen-2-one
(6ar,9s,9as)-6a-methyl-9-nonanoyl-3-[(1e)-prop-1-en-1-yl]-9h,9ah-furo[2,3-h]isochromene-6,8-dione
(1r,5s)-4,6,6-trimethyl-5-{[(2-oxochromen-7-yl)oxy]methyl}cyclohex-3-en-1-yl 3-methylbutanoate
(2z)-2-methyl-4-[(2-oxochromen-7-yl)oxy]-3-{[(1r,6s)-2,2,6-trimethylcyclohexyl]methyl}but-2-enoic acid
(3r,4'r,6'r,7's,8'ar)-7'-[(1z)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]-6'-ethyl-4'-methyl-3',5',6',7',8',8'a-hexahydro-2'h-spiro[indole-3,1'-indolizin]-4'-ium-2-olate
(2r)-2-hydroxy-2-[(2e,6e,9s)-9-hydroxy-3,7,11-trimethyl-8-oxododeca-2,6,10-trien-1-yl]-4-methyl-1-benzofuran-3-one
7-{[(1s,2r,4as,8ar)-2-hydroxy-2,5,5,8a-tetramethyl-6-oxo-hexahydronaphthalen-1-yl]methoxy}chromen-2-one
2-[(5e)-2,9-dihydroxy-6,10-dimethylundeca-5,10-dien-2-yl]-2h,3h-furo[3,2-c]chromen-4-one
(2r)-2-[(2s,5e,9r)-2,9-dihydroxy-6,10-dimethylundeca-5,10-dien-2-yl]-2h,3h-furo[3,2-c]chromen-4-one
(1r,3s)-2,2-dimethyl-4-methylidene-3-{[(2-oxochromen-7-yl)oxy]methyl}cyclohexyl (2r)-2-methylbutanoate
2-[(2r)-4-{[(2r)-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy}-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
(1r,3as,3br,7s,9as,9bs,11ar)-3a,7-dihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-9a-carbaldehyde
1-[(1r,4r,12r,16s)-7-hydroxy-8-methoxy-17-oxa-5,15-diazahexacyclo[13.4.3.0¹,¹⁶.0⁴,¹².0⁶,¹¹.0¹²,¹⁶]docosa-6(11),7,9-trien-5-yl]propan-1-one
7-{[(2e)-5-{2-hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl}-3-methylpent-2-en-1-yl]oxy}chromen-2-one
5-[2-(3,4-dihydroxyphenyl)ethyl]-2,2-dimethyl-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-1-benzopyran-3,7-diol
3a,5a-dihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-9a-carbaldehyde
(2r)-2-[(1r,4as,7s,7ar)-4,7-dimethyl-3-(3-methylbutanoyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]-2-hydroxy-4-methyl-1-benzofuran-3-one
(2s,3s)-3-hydroxy-2-[(3e)-7-hydroxy-4,8-dimethylnona-3,8-dien-1-yl]-2-methyl-3h,4h-pyrano[2,3-b]chromen-5-one
5-{3a,10-dihydroxy-9a,11a-dimethyl-7-oxo-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}pyran-2-one
(1s,13r,14s,19r)-10-hydroxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3(11),4,9-triene-8,17-dione
5-hydroxy-11-methoxy-3,13-dipentyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-4-carboxylic acid
2-(2,9-dihydroxy-6,10-dimethylundeca-5,10-dien-2-yl)-2h,3h-furo[3,2-c]chromen-4-one
7-{[(1s,4ar,5s,6s,8as)-6-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy}chromen-2-one
5-[3a-hydroxy-9a-(hydroxymethyl)-11a-methyl-7-oxo-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]pyran-2-one
(1r,5s,5as,9as,9br)-1-hydroxy-6,6,9a-trimethyl-1h,3h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-5-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
2-(4-{[2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy}-6-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-ol
(2s)-2-[(1r,4as,7s,7ar)-4,7-dimethyl-3-(3-methylbutanoyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]-2-hydroxy-4-methyl-1-benzofuran-3-one
3-{[(2s,3r)-3-{2-[(2r)-3,3-dimethyloxiran-2-yl]ethyl}-3-methyloxiran-2-yl]methyl}-7-hydroxy-6-(2-methylbut-3-en-2-yl)chromen-2-one
7-[(5,8-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)oxy]chromen-2-one
(1r,2s,4s,5e,8s,9r)-4-(acetyloxy)-6,10,10-trimethylspiro[bicyclo[7.2.0]undecane-2,2'-oxiran]-5-en-8-yl benzoate
7-{[(2e)-5-[(2r)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-en-1-yl]oxy}-8-{[(2r)-3,3-dimethyloxiran-2-yl]methyl}chromen-2-one
2,2-dimethyl-4-methylidene-3-{[(2-oxochromen-7-yl)oxy]methyl}cyclohexyl 2-methylbutanoate
methyl (2e)-2-{3-ethyl-8-methoxy-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizin-2-yl}-3-methoxyprop-2-enoate
4-[(1e)-4-{[(2s,3e)-4-(3,4-dimethoxyphenyl)but-3-en-2-yl]oxy}but-1-en-1-yl]-1,2-dimethoxybenzene
methyl (2e)-2-[(2s,3r,12bs)-3-ethyl-8-methoxy-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
4-isopropyl-10-methoxy-7,13,13-trimethyl-18-oxapentacyclo[9.5.2.0¹,¹².0²,⁹.0⁴,⁸]octadeca-2(9),6-diene-3,5,17-trione
3a,7-dihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-9a-carbaldehyde
(2r,4ar,12ar)-2-(2-hydroxypropan-2-yl)-4a-methyl-9-(2-methylbut-3-en-2-yl)-3,4,12,12a-tetrahydro-2h-1,5,7-trioxatetracen-8-one
3-hydroxy-2-(7-hydroxy-4,8-dimethylnona-3,8-dien-1-yl)-2-methyl-3h,4h-pyrano[2,3-b]chromen-5-one
5,7-dihydroxy-8,8-dimethyl-3,10-bis(2-methylbut-3-en-2-yl)-6h,7h-pyrano[3,2-g]chromen-2-one
7-{[(2z)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-en-1-yl]oxy}-8-[(3,3-dimethyloxiran-2-yl)methyl]chromen-2-one
2-hydroxy-2-[(2e,6e,9e)-11-hydroxy-3,7,11-trimethyl-8-oxododeca-2,6,9-trien-1-yl]-4-methyl-1-benzofuran-3-one
methyl (2z)-2-[(2s,3s,12br)-3-ethyl-8-methoxy-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
2-hydroxy-2-[(6e,9e)-11-hydroxy-3,7,11-trimethyl-8-oxododeca-2,6,9-trien-1-yl]-4-methyl-1-benzofuran-3-one
2-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-3,8-dihydroxy-2-methyl-3h,4h-pyrano[2,3-b]chromen-5-one
1,5-dihydroxy-6,6,9a-trimethyl-1h,3h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-9-yl 3-phenylprop-2-enoate
6,7-dimethoxy-8-[(7-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-6-yl)oxy]-2-methyl-3,4-dihydro-1h-isoquinoline
(7r)-5,7-dihydroxy-8,8-dimethyl-3,10-bis(2-methylbut-3-en-2-yl)-6h,7h-pyrano[3,2-g]chromen-2-one
7-[(4,6-dihydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl)methoxy]chromen-2-one
methyl 2-{8-acetyl-6-methoxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6-trien-12-yl}acetate
methyl (2z)-2-[(2s,3r,12bs)-3-ethyl-8-methoxy-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
7-{[(1r,2r,4s,4as,5s,8as)-4-hydroxy-1,2,4a,5-tetramethyl-6-oxo-hexahydro-2h-naphthalen-1-yl]methoxy}chromen-2-one
2-hydroxy-2-(9-hydroxy-3,7,11-trimethyl-8-oxododeca-2,6,10-trien-1-yl)-4-methyl-1-benzofuran-3-one
8-acetyl-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
6,7-dimethoxy-8-[(6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1h-isoquinoline
(2s)-2-hydroxy-2-[(2e,6e,9r)-9-hydroxy-3,7,11-trimethyl-8-oxododeca-2,6,10-trien-1-yl]-4-methyl-1-benzofuran-3-one
(1s,9s,10r,13r,14s,21r)-8-acetyl-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
2-[4,7-dimethyl-3-(3-methylbutanoyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]-2-hydroxy-4-methyl-1-benzofuran-3-one
2-methyl-4-[(2-oxochromen-7-yl)oxy]-3-[(2,2,6-trimethylcyclohexyl)methyl]but-2-enoic acid
2-({1-hydroxy-2-[3-hydroxy-2-(pent-2-en-1-yl)cyclopentyl]ethylidene}amino)-3-(1h-indol-3-yl)propanoic acid
2-hydroxy-2-[(2e,6e)-9-hydroxy-3,7,11-trimethyl-8-oxododeca-2,6,10-trien-1-yl]-4-methyl-1-benzofuran-3-one
5-[(1r,3as,3br,9ar,9bs,10r,11ar)-3a,10-dihydroxy-9a,11a-dimethyl-7-oxo-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]pyran-2-one
4-chloro-2-(7,11-dihydroxy-3,7,11-trimethyldodec-2-en-1-yl)-5-methylbenzene-1,3-diol
C22H35ClO4 (398.22237400000006)