Exact Mass: 398.1994
Exact Mass Matches: 398.1994
Found 500 metabolites which its exact mass value is equals to given mass value 398.1994
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cinncassiol E
Cinncassiol E is found in herbs and spices. Cinncassiol E is a constituent of Cinnamomum cassia (Chinese cinnamon). Constituent of Cinnamomum cassia (Chinese cinnamon). Cinncassiol E is found in herbs and spices.
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.
3'-Hydroxy-T2-triol
3-Hydroxy-T2-triol is a mycotoxin produced by Fusarium heterosporu
Pregnanolone sulfate
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
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).
Ptaquiloside
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
6-[3-(1-Adamantyl)-4-hydroxyphenyl]-2-naphthalenecarboxylic Acid
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D000970 - Antineoplastic Agents
N-(2-(Diethylamino)ethyl)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
Bisantrene
D000970 - Antineoplastic Agents
Ferulsinaic acid
3alpha-Hydroxy-5alpha-pregnan-20-one sulfate
Moveltipril
Methyl 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzenesulfonate
Taprostene
2-(2-(4-(2-Fluoroethoxy)phenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)-N,N-diethylacetamide
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
(2R,3S,4S,9R,12R,13R,14S,15R,16R,17S)-3,4,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-6-en-11-one
11-methoxyneo-oxydiaboline|11-Methoxyneooxydiaboline
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
3beta-Sulfooxy-5alpha-pregnanon-(20)|3beta-sulfooxy-5alpha-pregnanone-(20)|3beta5alpha-pregnanolone sulphate|epiallopregnanolone-sulfate|Isopregnanolone sulfate|Sulfat des 3beta-Hydroxy-5alpha-pregnanons-(20)
(1S,5S,6R,7S,9R,10S)-5-methylbutanoyloxy-1,4,9-trihydroxy-2-oxoxanth-11-en-6,12-olide
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
10-methoxy-19alpha-methyl-2-oxo-(7alphaC2,20alpha)-formosanane-16-carboxylic acid methyl ester|O-methyl-rumberine|Palmirin|palmirine
2alpha-isovaleryloxy-3,8-dioxo-4beta,5alpha-dihydroxy-11-peroxybisabola-7(14),9E-diene
Di-Ac-19(4鈥樏傗垎3)-Abeo-11,12-dihydroxy-4(18),8,11,13-abietatetraen-7-one
1beta-(E-cinnamoyloxy)-6alpha-hydroxyisodrimeninol
7-methoxy-11,16-diketo-apian-8,14-dien-(22,6)-olide
3-O-acetyl-4,5-O-di-(2-methylbutyryl)-shikimic acid methyl ester|3-O-acetyl-4,5-O-di-<2-methylbutyryl>-shikimic acid methyl ester
(2E,10R)-tetradecaene-4,6-diyne-1,10,14-triol-1-O-beta-D-glucopyranoside
(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
17-hydroxy-yohimbane-5,16-dicarboxylic acid 16-methyl ester
10-hydroxy-11-methoxytabersonine alpha-epoxide|jerantinine B
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
1-acetyl-12,18-dihydroxy-11-methoxy-cur-19-en-17-al|Henningsolin
6-[(7-Coumarinyloxy)methyl]-alpha,2,3,6-tetramethyl-2-cyclohexene-1-butyric acid
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
Isodunnial
Isodunnianol is a natural product found in Illicium simonsii and Illicium dunnianum with data available.
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)
C20H30O8_Picras-4-en-16-one, 1,2,11,12,14,15-hexahydroxy-, (1beta,2alpha,9xi,11beta,12alpha,15beta)
PTAQUILOSIDE
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 30 D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
Galbanic acid
Origin: Plant, Coumarins, Coumarin terpenoids, Sesquiterpenoids, Ferula terpenoids
(2R,3S,4S,9R,12R,13R,14S,15R,16R,17S)-3,4,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-6-en-11-one_major
(2R,3S,4S,9R,12R,13R,14S,15R,16R,17S)-3,4,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,?.0¹³,¹?]heptadec-6-en-11-one
Ala Ala His Thr
Ala Ala Thr His
Ala His Ala Thr
Ala His Thr Ala
Ala Thr Ala His
Ala Thr His Ala
Gly His Ser Val
Gly His Val Ser
Gly Ser His Val
Gly Ser Val His
Gly Val His Ser
Gly Val Ser His
His Ala Ala Thr
His Ala Thr Ala
His Gly Ser Val
His Gly Val Ser
His Ser Gly Val
His Ser Val Gly
His Thr Ala Ala
His Val Gly Ser
His Val Ser Gly
Ser Gly His Val
Ser Gly Val His
Ser His Gly Val
Ser His Val Gly
Ser Val Gly His
Ser Val His Gly
Thr Ala Ala His
Thr Ala His Ala
Thr His Ala Ala
Val Gly His Ser
Val Gly Ser His
Val His Gly Ser
Val His Ser Gly
Val Ser Gly His
Val Ser His Gly
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
3'-Hydroxy-T2-triol
Berkeleylactone C
Berkeleylactone D
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-cyclohexyl-N-(2,4-difluorophenyl)- (9CI)
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
(alphaS)-alpha-[[[Methyl[[2-(1-Methylethyl)-4-thiazolyl]Methyl]amino]carbonyl]amino]-4-Morpholinebutanoic acid Methyl ester
3-methyl-5-[2-phenyl-5-(piperidin-4-ylmethoxy)pyridin-3-yl]-2H-indazole
Ethylene glycol, diethylene glycol, maleic anhydride, dicyclopentadiene polymer
ethyl 3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-1-carboxylate
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(4-methylphenyl)-N-[(4-methylphenyl)methyl]- (9CI)
(3aS,3aS,8aR,8aR)-2,2-Cyclohexylidenebis[8,8a-dihydro-3aH-indeno[1,2-d]oxazole],99e.e.
3-(2-Naphthalen-1-yl-ethyl)-3-[2-(tetrahydro-pyran-2-yl)-ethyl]-pentanedioic acid
4-Tert-butyl-2-[(tert-butylamino)methyl]-6-[5-fluoro-6-(trifluoromethyl)pyridin-3-yl]phenol
2-(2-(4-(2-Fluoroethoxy)phenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)-N,N-diethylacetamide
Jerantinine B
An indole alkaloid that is tabersonine substituted by a hydroxy group at potition 10, a methoxy group at position 11 and an epoxy group across positions 14 and 15. Isolated from Tabernaemontana corymbosa, it exhibits cytotoxicity against human KB cells.
(1-(2-Morpholin-4-ylethyl)indol-3-yl)-4-methylnaphthalen-1-ylmethanone
Flutropium
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
N-[3-fluoro-4-(4-phenyl-1-piperazinyl)phenyl]-2-(4-morpholinyl)acetamide
2-(2,6-dimethylmorpholine-4-carbonyl)-1-(3-methoxypropyl)pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
4-[6-(1-Adamantyl)-7-hydroxy-2-naphthalenyl]benzoic acid
N-[(1r)-3-(4-Hydroxyphenyl)-1-Methylpropyl]-2-(2-Phenyl-1h-Indol-3-Yl)acetamide
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
2,3-Diphenyl-N-(2-piperazin-1-ylethyl)furo[2,3-B]pyridin-4-amine
Nalpha-[(benzyloxy)carbonyl]-N-[(1R)-4-hydroxy-1-methyl-2-oxobutyl]-L-phenylalaninamide
Bisantrene
D000970 - Antineoplastic Agents C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
3,4,12,13,15,16-Hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-6-en-11-one
Methyl 21-hydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.112,15.01,12.03,11.04,8.019,24]tetracosa-3(11),4(8),9-triene-21-carboxylate
[(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
Methyl 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzenesulfonate
[(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
6,7-dimethoxy-N-[(5-methyl-2-furanyl)methyl]-2-(2-methylpropyl)-1-oxo-4-isoquinolinecarboxamide
Cyclohexyl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]methanone
N-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-fluoro-N-propan-2-ylbenzamide
N-[[(2S,3S,4R)-1-acetyl-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylpropanamide
N-[[(2S,3S,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-fluoro-N-propan-2-ylbenzamide
N-ethyl-3-fluoro-N-[[(2S,3R,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]benzamide
N-[[(2R,3R,4S)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-fluoro-N-propan-2-ylbenzamide
N-[[(2S,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-fluoro-N-propan-2-ylbenzamide
(1R,5S)-3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
N-ethyl-3-fluoro-N-[[(2S,3R,4R)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]benzamide
N-ethyl-3-fluoro-N-[[(2R,3S,4R)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]benzamide
N-ethyl-3-fluoro-N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]benzamide
N-ethyl-3-fluoro-N-[[(2R,3R,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]benzamide
N-[[(2S,3R,4R)-1-acetyl-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylpropanamide
N-[[(2R,3R,4S)-1-acetyl-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylpropanamide
N-[[(2R,3S,4S)-1-acetyl-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylpropanamide
N-[[(2R,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-fluoro-N-propan-2-ylbenzamide
(1S,9R,10R,11R)-10-(hydroxymethyl)-12-(1,3-oxazol-4-ylmethyl)-11-(piperidine-1-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
(1R,9S,10S,11S)-10-(hydroxymethyl)-12-(1,3-oxazol-4-ylmethyl)-11-(piperidine-1-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
(1S,5R)-6-(1,3-benzodioxol-5-ylmethyl)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
2-[(3-Acetyloxy-2-hexanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[2,3-Di(butanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[Hydroxy-(2-pentanoyloxy-3-propanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
(2R,3aR,7S)-7-hydroxy-2,5,7-trimethyl-3a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[3,7a-dihydro-2H-indene-6,1-cyclopropane]-1-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
(1r,2r,4s,5r,6s,9s,10r,11s,13s)-2,10,11-trihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-4-yl 2-methylbutanoate
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
1-{1-hydroxy-11-methoxy-4,23-dioxa-8,18-diazaheptacyclo[16.3.1.1²,⁵.0⁶,²¹.0⁷,¹⁵.0⁹,¹⁴.0¹⁵,¹⁹]tricosa-9,11,13-trien-8-yl}ethanone
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
7-{[(1s,2r,4ar,8as)-2-hydroxy-2,5,5,8a-tetramethyl-6-oxo-hexahydronaphthalen-1-yl]methoxy}chromen-2-one
3,6,9,10,15-pentahydroxy-6-(hydroxymethyl)-12,12-dimethyl-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-7-one
methyl (1r,4ar,5s,6s,8s,8as)-6-chloro-1-formyl-8-hydroxy-5-[(3r)-3-hydroxy-4-methylpent-4-en-1-yl]-5,8a-dimethyl-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylate
(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
2,11,12-trihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-4-yl 2-methylbutanoate
(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
methyl 4-hydroxy-5-methoxy-15-oxa-8,19-diazahexacyclo[10.9.1.0¹,⁹.0²,⁷.0¹²,¹⁶.0¹⁹,²²]docosa-2,4,6,9-tetraene-10-carboxylate
(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
(1s,2r,4s,5r,6s,9s,10s,11s,12s,13r)-2,11,12-trihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-4-yl 3-methylbutanoate
methyl 2-hydroxy-6-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
(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
(1s,2s,5s,6r,7s,9r,10r,11r,13s,14s)-9,10,14-trihydroxy-5,9,14-trimethyl-4-oxo-3,12-dioxatetracyclo[8.4.0.0²,⁶.0¹¹,¹³]tetradecan-7-yl 2-methylbutanoate
(1r,4s,5r,6s,9r,10r,13s,14r,15s)-4,5,13,14-tetrahydroxy-4,9,13-trimethyl-18-methylidene-7,16-dioxatricyclo[13.3.0.0⁶,¹⁰]octadecane-8,17-dione
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"}
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"}