Exact Mass: 454.2056454
Exact Mass Matches: 454.2056454
Found 500 metabolites which its exact mass value is equals to given mass value 454.2056454
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Obacunone
Constituent of Citrus subspecies, Fortunella margarita (oval kumquat) and Casimiroa edulis (Mexican apple). Obacunone is found in many foods, some of which are pomes, sweet orange, lemon, and fruits. Obacunone is found in fruits. Obacunone is a constituent of Citrus species, Fortunella margarita (oval kumquat) and Casimiroa edulis (Mexican apple) Obacunone is a limonoid. Obacunone is a natural product found in Limonia acidissima, Citrus latipes, and other organisms with data available. Obacunone, isolated from Citrus fruits, exhibits anti-tumor activity by the induction of apoptosis[1]. Obacunone, isolated from Citrus fruits, exhibits anti-tumor activity by the induction of apoptosis[1].
beta-FNA
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 D009676 - Noxae > D000477 - Alkylating Agents
Halcinonide
D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AD - Corticosteroids, very potent (group iv) C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents
Desoxylimonin
Desoxylimonin is a steroid lactone. Desoxylimonin is a natural product found in Citrus maxima with data available. Desoxylimonin is found in citrus. Desoxylimonin is isolated from grapefruit seed Desoxylimonin is an orally active triterpenoid compound found from grapefruit seed. Desoxylimonin shows anti-proliferative activities to breast cancer cells. Desoxylimonin derivatives shows better anticancer, analgesic and anti-inflammatory activity than the lead compound[1].
1-Hydroxy-3,6,7-trimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone
1-Hydroxy-3,6,7-trimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone is found in fruits. 1-Hydroxy-3,6,7-trimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone is a constituent of the heartwood of Garcinia mangostana (mangosteen). Constituent of the heartwood of Garcinia mangostana (mangosteen). 1-Hydroxy-3,6,7-trimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone is found in fruits.
Butyl (S)-3-hydroxybutyrate [arabinosyl-(1->6)-glucoside]
C19H34O12 (454.20501640000003)
Butyl (S)-3-hydroxybutyrate [arabinosyl-(1->6)-glucoside] is found in fruits. Butyl (S)-3-hydroxybutyrate [arabinosyl-(1->6)-glucoside] is isolated from Cape gooseberry (Physalis peruviana).
1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(2-hydroxy-3-methyl-3-butenyl)-xanthone
1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(2-hydroxy-3-methyl-3-butenyl)-xanthone is found in fruits. 1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(2-hydroxy-3-methyl-3-butenyl)-xanthone is a constituent of the heartwood of Garcinia mangostana (mangosteen). Constituent of the heartwood of Garcinia mangostana (mangosteen). 1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(2-hydroxy-3-methyl-3-butenyl)-xanthone is found in fruits.
1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone
1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone is found in fruits. 1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone is a constituent of the heartwood of Garcinia mangostana (mangosteen). Constituent of the heartwood of Garcinia mangostana (mangosteen). 1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone is found in fruits.
beta-Funaltrexamine
Kushenol N
(2R,3S)-2-(2,4-Dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-8-((R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl)chroman-4-one is a natural product found in Sophora flavescens, Gentiana macrophylla, and Gentiana straminea with data available.
Leachianone D
Cardivin D
A germacranolide isolated from the aerial parts of Carpesium divaricatum. It exhibits cytotoxicity against the human tumor cells, A-549 (nonsmall cell lung), SK-OV-3 (ovary), SK-MEL-2 (skin), XF-498 (central nervous system) and HCT-15 (colon).
1-Hydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,6,7-trimethoxy-2-(3-methylbut-2-enyl) xanthone
[3aR-[3aalpha,5(S*),7aalpha]]-5-[4-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-1-methylbutyl]-3a,4,7,7a-tetrahydro-6-methyl-3-methylene-2(3H)-benzofuranone
Kushenol I
Kushenol I is a natural compound isolated from the roots of Sophora flavescens[1]. Kushenol I is a natural compound isolated from the roots of Sophora flavescens[1].
2,2,2,2-Tetramethyl-3,3,4,4-tetrahydro-5,5-bi[2H-naphtho[1,2-b]pyran]-6,6-diol
(7S)-3-(2-methyl-4-hydroxy-6-oxo-1-cyclohexenyl)-7,8-dihydro-7-methyl-6,8-dioxo-6H-2-benzopyran-7-yl (E)-2-methyl-2-octenoate|cohaerin B
2-(2,4-dihydroxyphenyl)-7-hydroxy-8-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-5-methoxychromen-4-one
3-(2-hydroxypropyl)-9-(3-hydroxy-8-methyldeca-2,4,6-trienoyl)-(6aR)-6a-methyl-9,9a-dihydro-6aH-furo[2,3-h]isochromene-6,8-dione|sassafrin B
Obacunone
Obacunone is a limonoid. Obacunone is a natural product found in Limonia acidissima, Citrus latipes, and other organisms with data available. Obacunone, isolated from Citrus fruits, exhibits anti-tumor activity by the induction of apoptosis[1]. Obacunone, isolated from Citrus fruits, exhibits anti-tumor activity by the induction of apoptosis[1].
Me glycoside, 2-benzyl,3,4-O-isopropylidene-alphaalpha-Pyranose-2-O-alpha-L-Fucopyranosyl-L-fucose|Me glycoside, Benzyl glycoside,2-benzyl,3,4-O-isopropylidene-Alpha-Pyranose-2-O-alpha-L-Fucopyranosyl-L-fucose
5,7-dihydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-5-(3-hydroxy-3-methyl-trans-but-1-enyl)-4-methoxyflavanone|erycaffra D
5,7-dihydroxy-4-methoxy-3,5-di-(3-hydroxy-3-methyl-trans-but-1-enyl)flavanone|erycaffra F
Valeriandoid F
Val Ala His Glu
3-Omethyl-5-hydroxydiplacone
(2S)-3-Methoxy-4,5,5,7-tetrahydroxy-6-[(2E)-3,7-dimethyl-2,6-octadienyl]-2,3-dihydroflavone is a natural product found in Paulownia tomentosa with data available.
KushenolI
(2R,3R)-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one is a natural product found in Sophora flavescens and Gentiana macrophylla with data available. Kushenol I is a natural compound isolated from the roots of Sophora flavescens[1]. Kushenol I is a natural compound isolated from the roots of Sophora flavescens[1].
C26H30O7_Oxireno[4,5]pyrano[4,3:5,6]naphth[2,1-c]oxepin-3,10,12(1H,5aH,10aH)-trione, 8-(3-furanyl)-5b,6,7,7a,8,11b,13,13a-octahydro-1,1,5a,7a,11b-pentamethyl-, (5aR,7aS,8S,10aS,11aR,11bR)
(1R,2R,4S,7R,8S,12R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.02,4.02,8.012,18]icos-13-ene-5,15,20-trione
Ala Asp His Ile
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Ala Glu Val His
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Ala Thr Thr Tyr
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Deoxylimonin
Desoxylimonin is an orally active triterpenoid compound found from grapefruit seed. Desoxylimonin shows anti-proliferative activities to breast cancer cells. Desoxylimonin derivatives shows better anticancer, analgesic and anti-inflammatory activity than the lead compound[1].
Butyl (S)-3-hydroxybutyrate [arabinosyl-(1->6)-glucoside]
C19H34O12 (454.20501640000003)
1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone
1-Hydroxy-3,6,7-trimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone
1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(2-hydroxy-3-methyl-3-butenyl)-xanthone
3-O-(alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranosyl) butyl 3S-hydroxybutanoate
C19H34O12 (454.20501640000003)
3-O-(alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranosyl) butyl 3R-hydroxybutanoate
C19H34O12 (454.20501640000003)
FA 19:2;O10
C19H34O12 (454.20501640000003)
ST 26:8;O7
butane-1,4-diol,1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene,oxepan-2-one
5,6-dimethyl-2-[4-[3-(1-piperidinomethyl)phenoxy]-(z)-2-butenylamino]-4(1h)-pyrimidone dihydrochloride
C22H32Cl2N4O2 (454.19021919999994)
1,2-Dibenzyl 3-tert-butyl piperazine-1,2,3-tricarboxylate
N-Phenyl-5-(4-Fluorophenyl)-2-isopropyl-1-(3-oxopropyl)-4-phenyl-1H-pyrrole-3-carboxamide
4-[6-(Tributylstannyl)pyridin-2-yl]morpholine
C21H38N2OSn (454.20059679999997)
2-Morpholino-5-(tributylstannyl)pyridine
C21H38N2OSn (454.20059679999997)
Biphenylindanone A
Biphenylindanone A (BINA) is a selective human mGluR2 (hmGluR2) potentiator for the treatment of many neurological disorders[1].
butane-1,4-diol,1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene,oxepan-2-one
1,10-Decanedione,1,10-bis(1-hydroxy-2-naphthyl)- (6CI,8CI)
Lisuride Maleate
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
2-(2-Methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-3-yl)ethyl 4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinecarboxylate
butyl prop-2-enoate,2-methylidenebutanedioic acid,prop-2-enamide,prop-2-enenitrile,prop-2-enoic acid
[(3R)-4-[[3-(2-heptanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]phosphinic acid
C18H35N2O7PS (454.19024900000005)
Methyl (E)-4-[[3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobut-2-enoate
1-Arachidonoylglycerone 3-phosphate(2-)
C23H35O7P-2 (454.21202900000003)
6-ethyl-3-[[[1-(2-furanylmethyl)-5-tetrazolyl]methyl-(phenylmethyl)amino]methyl]-1H-quinolin-2-one
5-tert-butyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(phenylmethyl)-3-pyrazolecarboxamide
N-[(6aS,8S)-2-(2,3-dimethylphenyl)-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]pyridine-3-carboxamide
1-O-caproyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine
A 1,2-diacyl-sn-glycero-3-phosphocholine having caproyl and 5-oxovaleryl groups at the 1- and 2-positions respectively.
[(3aR,4R,9bR)-8-(1-cyclohexenyl)-1-(3-methoxyphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
C25H30N2O4S (454.19261800000004)
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxyacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxyacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1R,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
beta-Funaltrexamine
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 D009676 - Noxae > D000477 - Alkylating Agents
1-Arachidonoylglycerone 3-phosphate(2-)
C23H35O7P (454.21202900000003)
A 1-acylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-arachidonoylglycerone 3-phosphate; major species at pH 7.3.
AZD9056 (hydrochloride)
AZD9056 hydrochloride is a selective orally active inhibitor of P2X7 which plays a significant role in inflammation and pain-causing diseases.
(1r,2s,7r,10r,13r,18r,19r)-18-(furan-3-yl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁹]henicos-14-ene-5,12,16-trione
(1r,9s,10s,12s,13e,15s,16s,17r,18s)-18-(acetyloxy)-13-ethylidene-4-methoxy-17-(methoxycarbonyl)-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-15-ium-15-olate
(5s)-9,12-dihydroxy-5-(4-hydroxy-3-methoxyphenyl)-13-methyl-13-(4-methylpent-3-en-1-yl)-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1,3(8),9-trien-7-one
2-(3,4-dihydroxy-5-methoxyphenyl)-6-(3,7-dimethylocta-2,6-dien-1-yl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{2-[2-(2-hydroxypropan-2-yl)-3-methyloxiran-2-yl]ethoxy}oxane-3,4,5-triol
C19H34O12 (454.20501640000003)
(3ar,4s,6s,8s,10r,11s,11ar)-8,10-dihydroxy-6,10-dimethyl-3-methylidene-4-[(2-methylpropanoyl)oxy]-2,5-dioxo-octahydrocyclodeca[b]furan-11-yl 2-methylpropanoate
9,17-dihydroxy-1,7,11,15,15-pentamethyl-6-(2-oxo-5h-furan-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione
(2r,3s)-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-1-benzopyran-4-one
2-(2,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-8-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-1-benzopyran-4-one
5,8-dihydroxy-5-(5-methoxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-6-one
3-(4-hydroxy-2-methyl-6-oxocyclohex-1-en-1-yl)-7-methyl-6,8-dioxoisochromen-7-yl 2-methyloct-2-enoate
11-homohydroxyldidrovaltrate
{"Ingredient_id": "HBIN000429","Ingredient_name": "11-homohydroxyldidrovaltrate","Alias": "NA","Ingredient_formula": "C23H34O9","Ingredient_Smile": "CCC(C)CC(=O)OCC1=COC(C2C1(CC(C23CO3)OC(=O)C)O)OC(=O)CC(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9609","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-o-α-l-arabinopyranosyl-(1→6)-β-d-gluco-pyranoside of butyl(3r)-hydroxybutanoate
C19H34O12 (454.20501640000003)
{"Ingredient_id": "HBIN009065","Ingredient_name": "3-o-\u03b1-l-arabinopyranosyl-(1\u21926)-\u03b2-d-gluco-pyranoside of butyl(3r)-hydroxybutanoate","Alias": "NA","Ingredient_formula": "C19H34O12","Ingredient_Smile": "CCCCOC(=O)CC(C)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1567","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-o-α-l-arabinopyranosyl-(1→6)-β-d-gluco-pyranoside of butyl(3s)-hydroxybutanoate
C19H34O12 (454.20501640000003)
{"Ingredient_id": "HBIN009066","Ingredient_name": "3-o-\u03b1-l-arabinopyranosyl-(1\u21926)-\u03b2-d-gluco-pyranoside of butyl(3s)-hydroxybutanoate","Alias": "NA","Ingredient_formula": "C19H34O12","Ingredient_Smile": "CCCCOC(=O)CC(C)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1563","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,2r,4s,7s,8s,11s,12r,18s)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-ene-5,15,20-trione
4,6-dihydroxy-9-(2-hydroxy-3-methoxy-3-methylbutyl)-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one
({[(2s)-2-{[(2s)-2-amino-1-hydroxy-3-methylbutylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}(methyl)amino)dihydroxy(1-hydroxy-2-methoxy-2-oxoethyl)phosphanium
2-(2,4-dihydroxyphenyl)-7-hydroxy-8-[5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl]-5-methoxychromen-4-one
[(2r,3s,4s,5r,6s)-6-{[(3s,3ar,4ar,5r,7as,9ar)-3,5-dimethyl-8-methylidene-2-oxo-octahydro-3h-azuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
(2s,3s)-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-8-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-1-benzopyran-4-one
(3r,3ar,3br,9ar,9br,10s)-3,5,10-trihydroxy-3a,3b,6,6,9a-pentamethyl-1-(2-oxo-5h-furan-3-yl)-2h,3h,9bh,10h,11h-cyclopenta[a]phenanthrene-4,7-dione
3-[(2,3-dimethylbut-2-enoyl)oxy]-2,5,6-trihydroxy-4-[(2-methylbut-2-enoyl)oxy]cyclohexyl 2,3-dimethylbut-2-enoate
9-(3-hydroxy-8-methyldeca-2,4,6-trienoyl)-3-(2-hydroxypropyl)-6a-methyl-9h,9ah-furo[2,3-h]isochromene-6,8-dione
(2s)-2-(3,4-dihydroxy-5-methoxyphenyl)-6-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one
1-hydroxy-2-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-3,6,7-trimethoxy-8-(3-methylbut-2-en-1-yl)xanthen-9-one
(1r,2r,4r,6r,7s,10r,11r)-17-hydroxy-6-(2-hydroxy-5-oxo-2h-furan-3-yl)-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione
(1r,2s,3r,7r,8s,9r,10r,13r)-1,9-dihydroxy-9,13-dimethyl-4-methylidene-2-[(2-methylpropanoyl)oxy]-5-oxo-6,14-dioxatricyclo[8.3.1.0³,⁷]tetradecan-8-yl 2-methylpropanoate
(7s)-3-[(4s)-4-hydroxy-2-methyl-6-oxocyclohex-1-en-1-yl]-7-methyl-6,8-dioxoisochromen-7-yl (2e)-2-methyloct-2-enoate
(2s)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(2-hydroxy-7-methyl-3-methylideneoct-6-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(2s)-2-(2,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-1-benzopyran-4-one
6-(3,7-dimethylocta-2,6-dien-1-yl)-3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
3-[(1,3-dihydroxy-13-{2-[(1-hydroxyethylidene)amino]-3-methoxyphenyl}trideca-4,6,8,10,12-pentaen-1-ylidene)amino]propanoic acid
(2s)-2-(2,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-8-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-1-benzopyran-4-one
(3as,4s,5r,6s,10r,11s,11ar)-4,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,9-dioxo-octahydrocyclodeca[b]furan-5-yl 2-methylpropanoate
2-(3,5-dihydroxy-4-methoxyphenyl)-6-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one
(3as,4s,6s,8s,10s,11s,11ar)-8,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,5-dioxo-octahydrocyclodeca[b]furan-4-yl 2-methylpropanoate
methyl 6-hydroxy-2-[3-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-5-carbonyl]-3-(3-methylbut-2-en-1-yl)benzoate
(1r,2r,4r,6r,7s,10r,11r)-17-hydroxy-6-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione
methyl 6-[1-hydroxy-2-(5-hydroxy-5-methylhexyl)-3-methoxy-3-oxopropyl]phenazine-1-carboxylate
(3s,4r)-4,6-dihydroxy-9-[(2s)-2-hydroxy-3-methoxy-3-methylbutyl]-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one
2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-8-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-1-benzopyran-4-one
[(2r,3s,4s,5r,6r)-6-{[(4s)-4-[(3ar,7ar)-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentyl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
(12s)-8-hydroxy-12-(4-hydroxy-3-methoxyphenyl)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,7-trien-10-one
(1r,2r,4r,6s,7s,10r,11s)-17-hydroxy-1,7,11,15,15-pentamethyl-6-[(1s,4r,5r)-3-oxo-2,6-dioxabicyclo[3.1.0]hexan-4-yl]-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione
3-{[(3r,4e,6e,8e,10e,12e)-1,3-dihydroxy-13-{2-[(1-hydroxyethylidene)amino]-3-methoxyphenyl}trideca-4,6,8,10,12-pentaen-1-ylidene]amino}propanoic acid
(1r,2r,4s,7r,8s,11r,12r,18r)-7-(furan-2-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-ene-5,15,20-trione
(3ar,4r,5r,6r,10r,11r,11as)-4,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,9-dioxo-octahydrocyclodeca[b]furan-5-yl 2-methylpropanoate
[(1r,3as,3br,5as,7s,9as,9bs,11ar)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid
C23H34O7S (454.20251340000004)
butyl (3r)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}butanoate
C19H34O12 (454.20501640000003)
1,9-dihydroxy-9,13-dimethyl-4-methylidene-8-[(2-methylpropanoyl)oxy]-5-oxo-6,14-dioxatricyclo[8.3.1.0³,⁷]tetradecan-2-yl 2-methylpropanoate
5-{6-hydroxy-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-5-yl}-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-6-ol
(3r)-6-[(1z,4e,6e,8e)-1-hydroxy-10-methyl-3-oxododeca-1,4,6,8-tetraen-1-yl]-11-(hydroxymethyl)-3-methyl-4,12-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),6-diene-2,5-dione
(3,4,5-trihydroxy-6-{[4-(6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl)pentyl]oxy}oxan-2-yl)methyl acetate
(3ar,4r,5r,6r,10r,11r,11as)-5,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,9-dioxo-octahydrocyclodeca[b]furan-4-yl 2-methylpropanoate
(2s)-5,7-dihydroxy-6-[(2e,6r)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(4r,6r,7s,10r,11s)-17-hydroxy-6-[(5r)-5-hydroxy-2-oxo-5h-furan-3-yl]-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione
(1r,2r,4r,6r,7s,10r,11s)-17-hydroxy-6-[(5r)-5-hydroxy-2-oxo-5h-furan-3-yl]-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione
5,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,9-dioxo-octahydrocyclodeca[b]furan-4-yl 2-methylpropanoate
(3as,4s,5s,6s,10r,11s,11ar)-4,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,9-dioxo-octahydrocyclodeca[b]furan-5-yl 2-methylpropanoate
(2r,3r)-6-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
[3,4,5-trihydroxy-6-({3,5,8-trimethyl-2-oxo-3h,3ah,6h,7h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-5-yl}oxy)oxan-2-yl]methyl acetate
(1s,8s,9s,11s)-9-(2-hydroxypropan-2-yl)-11-[5-methoxy-6-(prop-2-en-1-yl)-2h-1,3-benzodioxol-2-yl]-8-(prop-2-en-1-yl)-2,4-dioxatricyclo[6.2.1.0¹,⁵]undec-5-en-7-one
methyl 6-hydroxy-2-[(3s)-3-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-5-carbonyl]-3-(3-methylbut-2-en-1-yl)benzoate
8,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,5-dioxo-octahydrocyclodeca[b]furan-4-yl 2-methylpropanoate
7-(furan-2-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-ene-5,15,20-trione
3,5,7-trihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-6-(3-methylbut-2-en-1-yl)-2h-1-benzopyran-4-one
[(2r,3s,4s,6s)-6-{[(3s,3as,4ar,5r,7as,9ar)-3,5-dimethyl-8-methylidene-2-oxo-octahydro-3h-azuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
[(2r,3s,4s,5r,6s)-6-{[(3s,3ar,5r,7as,8r,9ar)-3,5,8-trimethyl-2-oxo-3h,3ah,6h,7h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
1-hydroxy-8-(3-hydroxy-3-methylbut-1-en-1-yl)-3,6,7-trimethoxy-2-(3-methylbut-2-en-1-yl)xanthen-9-one
(2r,3r)-6-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(1r,9s,10s,12s,13e,16s,17r,18s)-18-(acetyloxy)-13-ethylidene-4-methoxy-17-(methoxycarbonyl)-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-15-ium-15-olate
(1r,2r,4r,6r,7s,10r,11s)-17-hydroxy-6-[(2r)-2-hydroxy-5-oxo-2h-furan-3-yl]-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione
(2r,4r,6r,7s,10r,11s)-17-hydroxy-6-[(2r)-2-hydroxy-5-oxo-2h-furan-3-yl]-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione
6-(acetyloxy)-4a-hydroxy-1-[(3-methylbutanoyl)oxy]-1,5,6,7a-tetrahydrospiro[cyclopenta[c]pyran-7,2'-oxiran]-4-ylmethyl 3-methylpentanoate
(1s,4ar,6s,7r,7as)-6-(acetyloxy)-4a-hydroxy-1-[(3-methylbutanoyl)oxy]-1,5,6,7a-tetrahydrospiro[cyclopenta[c]pyran-7,2'-oxiran]-4-ylmethyl (3r)-3-methylpentanoate
5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hex-3-en-1-yl]-2,3-dihydro-1-benzopyran-4-one
(2s,3r,4s,5s,6r)-2-[(3'ar,4'r,7'ar)-4'-hydroxy-2',2',4',6'-tetramethyl-1',3'a-dihydrospiro[cyclopropane-1,5'-inden]-3'-oneoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate
(2r,3s,4s,5r,6r)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{2-[(2r,3r)-2-(2-hydroxypropan-2-yl)-3-methyloxiran-2-yl]ethoxy}oxane-3,4,5-triol
C19H34O12 (454.20501640000003)
(7s)-3-(4-hydroxy-2-methyl-6-oxocyclohex-1-en-1-yl)-7-methyl-6,8-dioxoisochromen-7-yl (2e)-2-methyloct-2-enoate
15-(2,2-dimethyl-5-oxooxolan-3-yl)-7-ethynyl-8,15-dimethyl-2-methylidene-12-oxo-4,11-dioxatetracyclo[8.5.0.0³,⁵.0³,⁸]pentadec-13-en-9-yl acetate
3,5,10-trihydroxy-3a,3b,6,6,9a-pentamethyl-1-(2-oxo-5h-furan-3-yl)-2h,3h,9bh,10h,11h-cyclopenta[a]phenanthrene-4,7-dione
(2r)-5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[(2s,3e)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hex-3-en-1-yl]-2,3-dihydro-1-benzopyran-4-one
[(2r,3s,4s,5r,6r)-6-{[(3s,3ar,4ar,5r,7as,9ar)-3,5-dimethyl-8-methylidene-2-oxo-octahydro-3h-azuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
(2s,3s)-6-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
5,7-dihydroxy-6-(7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl)-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(6ar,9s,9ar)-9-[(2z,4e,6e)-3-hydroxy-8-methyldeca-2,4,6-trienoyl]-3-(2-hydroxypropyl)-6a-methyl-9h,9ah-furo[2,3-h]isochromene-6,8-dione
(9r,10r,11r,12r,13r,15r,16r)-13-chloro-12-ethenyl-11-isocyano-8,8,12,19,19-pentamethyl-6-azapentacyclo[13.3.1.0⁵,¹⁸.0⁷,¹⁷.0¹¹,¹⁶]nonadeca-1(18),2,4,7(17)-tetraene-9,10,16-triol
C26H31ClN2O3 (454.20230860000004)
butyl (3s)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}butanoate
C19H34O12 (454.20501640000003)