Exact Mass: 426.1591
Exact Mass Matches: 426.1591
Found 500 metabolites which its exact mass value is equals to given mass value 426.1591
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Anhydrotetracyclin
Archangelicin
Constituent of the roots of Angelica archangelica (anglica). Archangelicin is found in many foods, some of which are fats and oils, green vegetables, herbs and spices, and angelica. Archangelicin is found in angelica. Archangelicin is a constituent of the roots of Angelica archangelica (anglica)
Mangostanol
Constituent of Garcinia mangostana (mangosteen). Mangostanol is found in fruits and purple mangosteen. Mangostanol is found in fruits. Mangostanol is a constituent of Garcinia mangostana (mangosteen) Mangostanol is a natural product found in Garcinia and Garcinia mangostana with data available.
Edulisin II
Edulisin II is found in green vegetables. Edulisin II is a constituent of Angelica edulis
Mangostenol
Mangostenol is found in fruits. Mangostenol is a constituent of the green fruit hulls of Garcinia mangostana (mangosteen).
6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside
6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside is found in herbs and spices. 6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside is a constituent of fennel, Foeniculum vulgare. Constituent of fennel, Foeniculum vulgare. 6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside is found in herbs and spices.
Atrovirisidone
Atrovirisidone is found in fruits. Atrovirisidone is a constituent of the roots of Garcinia atroviridis (gelugor). Constituent of the roots of Garcinia atroviridis (gelugor). Atrovirisidone is found in fruits.
Chitobiose
Chitobiose is a dimer of beta-1,4-linked glucosamine units. There is ambiguity as to which structure the name refers, owing to the method by which it was first isolated. [HMDB] Chitobiose is a dimer of beta-1,4-linked glucosamine units. There is ambiguity as to which structure the name refers, owing to the method by which it was first isolated.
Antibiotic M83
D000970 - Antineoplastic Agents > D000903 - Antibiotics, Antineoplastic > D008937 - Mitomycins
Descarboxyethoxyloratadine
Praeruptorin B
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(1H-imidazol-1-ylmethyl)-6-methyl-4-(3-nitrophenyl)-, 3-ethyl 5-methyl ester
Yadanziolide A
yadanziolide A is a natural product found in Brucea javanica and Brucea mollis with data available. Yadanziolide A, isolated from the cultivated dry seeds of Brucea javanica, has strong antiviral activities with IC50 of 5.5 μM against tobacco mosaic virus. Yadanziolide A shows significant antitumor effects[1][2]. Yadanziolide A, isolated from the cultivated dry seeds of Brucea javanica, has strong antiviral activities with IC50 of 5.5 μM against tobacco mosaic virus. Yadanziolide A shows significant antitumor effects[1][2].
anomalin
(-)-Praeruptorin B is a natural product found in Angelica cartilaginomarginata, Angelica anomala, and other organisms with data available. Praeruptorin B is a natural product found in Saposhnikovia divaricata with data available. (-)-Anomalin ((-)-Praeruptorin B) is a coumarin derivative isolated from the root of Angelica anomala[1]. (-)-Anomalin ((-)-Praeruptorin B) is a coumarin derivative isolated from the root of Angelica anomala[1]. (-)-Anomalin ((-)-Praeruptorin B) is a coumarin derivative isolated from the root of Angelica anomala[1]. (-)-Anomalin ((-)-Praeruptorin B) is a coumarin derivative isolated from the root of Angelica anomala[1]. Praeruptorin B is an inhibitor of sterol regulatory element-binding proteins (SREBPs). Praeruptorin B is an inhibitor of sterol regulatory element-binding proteins (SREBPs). Praeruptorin B is an inhibitor of sterol regulatory element-binding proteins (SREBPs).
2-(1-Hydroxy-1-methylethyl)-4,8-dihydroxy-6-(3-methyl-2-butenyl)-7-methoxy-2,3-dihydro-5H-furo[3,2-b]xanthene-5-one
Ponganone VIII
α-D-Glucopyranosyl 3-O-(2-methylbutanoyl)-α-D-glucopyranoside
calypteryxin|Peuformosin|Peuformosin; 3-Angeloyloxy-4-senecioyloxy-3,4-dihydro-seselin
(-)-spicigerolide|(1S,2S,3Z)-2-(acetyloxy)-1-[(1S,2S)-1,2-di(acetyloxy)propyl]-4-[(2R)-6-oxo-3,6-dihydro-2H-2-pyranyl]-3-butenyl acetate|(6R)-6-[(1Z,3S,4S,5S,6S)-(3,4,5,6-tetraacetoxyhept-1-enyl)]-5,6-dihydropyran-2-one|6R-[3S,4S.5S,6S-tetraacetyloxy-1Z-heptenyl]-5,6-dihydro-2H-pyran-2-one|spicigerolide
2-hydroxy-3,4,45-tetramethoxy-5,6-(2,2-dimethylpyrano)chalcone
11beta,13-dihydrolactucin-8-O-p-methoxyphenylacetate|11betaH,13-dihydrolactucin-8-O-p-methoxyphenylacetate
O-(6-O-Caffeoyl-beta-D-glucopyranoside)-(S)-4-Hydroxy-2-pentanone
(6aS)-3-[(1S*,2S*,4R*)-4-hydroxy-2-methyl-6-oxocyclohexyl]-6aH-furo[2,3-h]isochromene-6,8-dione|multiformin D
4-angeloyloxy-3-senecioyloxy-(-)-trans-khellactone
(1R,2R,5R,6S,E)-1-((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)hept-3-ene-1,2,5,6-tetryl tetraacetate|6R-<1R,2R,5R,6S-(tetraacetyloxy)-3E-heptenyl>-5,6-dihydro-2H-pyran-2-one|6R-[1R,2R,5R,6S-(tetraacetyloxy)-3E-heptenyl]-5,6-dihydro-2H-pyran-2-one|6R-[1S,2R,5R,6S-(tetraacetyloxy)-3E-heptenyl]-5,6-dihydro-2H-pyran-2-one
1,3,6-trihydroxy-8-(7-hydroxy-3,7-dimethyl-2,5-octadieyl)-7-methoxyxanthone
4-O-(4-hydroxyprenyl)-caffeic acid 4-O-beta-D-glucopyranoside|4-O-<4-hydroxyprenyl>-caffeic acid 4-O-beta-D-glucopyranoside
1,4-dihydroxy-3-[4-hydroxyphenyl-(4-hydroxy-3-methoxybenzyl)]-2-(3,5-dihydroxyphenyl)butane|pouzolignan B
(2R,3S)-6-acetyl-2-[1-O-(beta-D-glucopyranosyl)-2-propenyl]-5-hydroxy-3-methoxy-2,3-dihydrobenzofuran
6-O-beta-D-glucopyranosyl-1-O-(2-methylbutanoyl)-beta-D-glucopyranose|nonioside N
2-(3,4-Dimethoxyphenyl)-3,5-dimethoxy-7-(prenyloxy)-4H-1-benzopyran-4-one
(2S)-3-methyl-3-butene-1,2-diol 1-O-(6-caffeoyl)-beta-D-glucopyranoside|rotundarpenoside A
6-O-beta-D-glucopyranosyl-1-O-(2-methylpropanoyl)-beta-D-glucopyranose|nonioside Q
4-caffeoyl-3-methyl-but-2-ene-1,4-diol 1-O-beta-D-glucopyranoside|rotundarpenoside B
2-Hexanoyl-1,3,6,8-tetramethoxy-9,10-anthraquinone
3-methylbutanoyl-6-O-alpha-D-glucopyranosyl-beta-D-fructofuranoside|3-Methylbutanoyl-6-O-??-D-glucopyranosyl-??-D-fructofuranosideand
4(S)-(6-O-Caffeoyl-beta-D-glucopyranosyl)-2-pentanone
1-oxo-6beta-cinnamoyloxy-1,10-dihydro-secomacrotolide
(-)-8-[(2S),3-dihydroxy-3-methylbutyl]-7-hydroxychromen-2-one 7-O-beta-D-glucopyranoside|devenyoside B
1,3,6-trihydroxy-8-(6,7-epoxy-3,7-dimethyl-2-octenyl)-7-methoxyxanthone
1,3,6-Trihydroxy-2-(2-hydroxy-3-methyl-3-butenyl)-5-methoxy-7-(3-methyl-2-butenyl)xanthone
N-[4-(4-Hydroxybenzoylamino)butyl]-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxopteridine-6-carboxamide
(+)-tephrorin A|(2S)-8-[(2S,3R,4S)-4-(acetyloxy)tetrahydro-2-hydroxy-5,5-dimethyl-3-furanyl]-2,3-dihydro-7-methoxy-2-phenyl-4H-1-benzopyran-4-one
3,4,7,8-tetrmethoxy-5,6-(2,2-dimethylpyrano)flavone
Fmoc-Trp-OH
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.268 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.264
[8-[2-(3-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
[8,8-dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbut-2-enoate
C17H30O12_alpha-D-Glucopyranoside, alpha-D-glucopyranosyl, 3-(2-methylbutanoate)
C20H26O10_2-(beta-D-Glucopyranosyloxy)benzyl 1,6-dihydroxy-2-cyclohexene-1-carboxylate
C17H30O12_alpha-D-Glucopyranoside, alpha-D-glucopyranosyl, 2-(2-methylbutanoate)
[8,8-dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbut-2-enoate
[8-[2-(3-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate [IIN-based: Match]
[8,8-dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbut-2-enoate [IIN-based on: CCMSLIB00000846416]
[8-[2-(3-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000845537]
[8-[2-(3-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000845540]
[8,8-dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbut-2-enoate [IIN-based: Match]
[8,8-dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbut-2-enoate_major
[8,8-dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbut-2-enoate_98.9\\%
Ala Ala Cys Tyr
Ala Ala Tyr Cys
Ala Cys Ala Tyr
Ala Cys Phe Ser
Ala Cys His Pro
Ala Cys Pro His
Ala Cys Ser Phe
Ala Cys Tyr Ala
Ala Phe Cys Ser
Ala Phe Ser Cys
Ala His Cys Pro
Ala His Pro Cys
Ala Pro Cys His
Ala Pro His Cys
Ala Ser Cys Phe
Ala Ser Phe Cys
Ala Ser Ser Tyr
Ala Ser Tyr Ser
Ala Tyr Ala Cys
Ala Tyr Cys Ala
Ala Tyr Ser Ser
Cys Ala Ala Tyr
Cys Ala Phe Ser
Cys Ala His Pro
Cys Ala Pro His
Cys Ala Ser Phe
Cys Ala Tyr Ala
Cys Phe Ala Ser
Cys Phe Gly Thr
Cys Phe Ser Ala
Cys Phe Thr Gly
Cys Gly Phe Thr
Cys Gly Thr Phe
Cys His Ala Pro
Cys His Pro Ala
Cys Pro Ala His
Cys Pro His Ala
Cys Ser Ala Phe
Cys Ser Phe Ala
Cys Thr Phe Gly
Cys Thr Gly Phe
Cys Tyr Ala Ala
Phe Ala Cys Ser
Phe Ala Ser Cys
Phe Cys Ala Ser
Phe Cys Gly Thr
Phe Cys Ser Ala
Phe Cys Thr Gly
Phe Gly Cys Thr
Phe Gly Thr Cys
Phe Ser Ala Cys
Phe Ser Cys Ala
Phe Ser Ser Ser
Phe Thr Cys Gly
Phe Thr Gly Cys
Gly Cys Phe Thr
Gly Cys Thr Phe
Gly Phe Cys Thr
Gly Phe Thr Cys
Gly Gly Met Tyr
Gly Gly Tyr Met
Gly Met Gly Tyr
Gly Met Tyr Gly
Gly Ser Thr Tyr
Gly Ser Tyr Thr
Gly Thr Cys Phe
Gly Thr Phe Cys
Gly Thr Ser Tyr
Gly Thr Tyr Ser
Gly Tyr Gly Met
Gly Tyr Met Gly
Gly Tyr Ser Thr
Gly Tyr Thr Ser
His Ala Cys Pro
His Ala Pro Cys
His Cys Ala Pro
His Cys Pro Ala
His Pro Ala Cys
His Pro Cys Ala
Met Gly Gly Tyr
Met Gly Tyr Gly
Met Tyr Gly Gly
Pro Ala Cys His
Pro Ala His Cys
Pro Cys Ala His
Pro Cys His Ala
Pro His Ala Cys
Pro His Cys Ala
Ser Ala Cys Phe
Ser Ala Phe Cys
Ser Ala Ser Tyr
Ser Ala Tyr Ser
Ser Cys Ala Phe
Ser Cys Phe Ala
Ser Phe Ala Cys
Ser Phe Cys Ala
Ser Phe Ser Ser
Ser Gly Thr Tyr
Ser Gly Tyr Thr
Ser Ser Ala Tyr
Ser Ser Phe Ser
Ser Ser Ser Phe
Ser Ser Tyr Ala
Ser Thr Gly Tyr
Ser Thr Tyr Gly
Ser Tyr Ala Ser
Ser Tyr Gly Thr
Ser Tyr Ser Ala
Ser Tyr Thr Gly
Thr Cys Phe Gly
Thr Cys Gly Phe
Thr Phe Cys Gly
Thr Phe Gly Cys
Thr Gly Cys Phe
Thr Gly Phe Cys
Thr Gly Ser Tyr
Thr Gly Tyr Ser
Thr Ser Gly Tyr
Thr Ser Tyr Gly
Thr Tyr Gly Ser
Thr Tyr Ser Gly
Tyr Ala Ala Cys
Tyr Ala Cys Ala
Tyr Ala Ser Ser
Tyr Cys Ala Ala
Tyr Gly Gly Met
Tyr Gly Met Gly
Tyr Gly Ser Thr
Tyr Gly Thr Ser
Tyr Met Gly Gly
Tyr Ser Ala Ser
Tyr Ser Gly Thr
Tyr Ser Ser Ala
Tyr Ser Thr Gly
Tyr Thr Gly Ser
Tyr Thr Ser Gly
(+)-Tephrorin A
A monomethoxyflavanone that is (2S)-7-methoxyflavanone substituted at position 8 by a tetrahydrofuran ring which in turn is substituted by geminal methyl groups at position 2, an acetoxy group at position 3 and a hydroxy group at position 5. Isolated from Tephrosia purpurea, it exhibits antineoplastic activity.
Anhydrotetracycline
mangostanol
Edulisin II
6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside
Atrovirisidone
Mangostenol
Cetotiamine
2-benzofuran-1,3-dione,2,2-dimethylpropane-1,3-diol,furan-2,5-dione,propane-1,2-diol
3-QUINOLINAMINE, N-[2-(3,4,5-TRIMETHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-4-YL]-
N-(phenylsulphonyl)anthranilic acid, compound with 2,2,2-nitrilotriethanol (1:1)
2-(4-methoxyphenyl)-4,6-diphenylpyrylium tetrafluoroborate
1,3-diisocyanato-2-methylbenzene,hexanedioic acid,2-(2-hydroxyethoxy)ethanol
1,5-DI-O-(4-METHYLBENZOYL)-2,3-O-ISOPROPYLIDENE-BETA-D-RIBOFURANOSE
Benzenamine,4-[(2-chlorophenyl)[4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-N-ethyl-2-methyl-,hydrochloride (1:1)
(1S)-1,5-Anhydro-1-{4-methyl-3-[(5-phenyl-2-thienyl)methyl]phenyl}-D-glucitol
(S,S)-1,2-Bis[(o-tolyl)(phenylphosphino)]ethane,(S,S)-1,2-Ethanediylbis[(2-methylphenyl)phenylphosphine]
4-Epianhydrotetracycline
4-Epianhydrotetracycline. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=7518-17-4 (retrieved 2024-10-30) (CAS RN: 7518-17-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
N-(1-(2,2-DIFLUORO-2-(4-(TRIFLUOROMETHYL)PHENYL)ETHYL)PIPERIDIN-4-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE
N-[2-[2-(3-methoxyphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide
N-[(5-imino-3-methyl-1-phenyl-4-pyrazolylidene)amino]-3-(4-morpholinylsulfonyl)aniline
2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-3-(1H-indol-3-yl)propanoic acid
(1S,4aS,12aS)-3-carbamoyl-1-(dimethylammonio)-4a,6,7-trihydroxy-11-methyl-4,5-dioxo-1,4,4a,5,12,12a-hexahydrotetracen-2-olate
1,3,6-trihydroxy-2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-7-methoxy-8-(3-methylbut-2-enyl)xanthen-9-one
Prasterone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
3-[[2-[4-(3-chlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester
alpha-D-Glucopyranosyl 2-O-(2-methylbutanoyl)-alpha-D-glucopyranoside
2-[[5-(4-fluorophenyl)-1-methyl-2-imidazolyl]thio]-N-[2-(4-morpholinyl)phenyl]acetamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(1-pyrrolidinylsulfonyl)benzamide
[(9R)-8-[2-[(Z)-2-Methylbut-2-enoyl]oxypropan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
6-O-(2-Methylbutanoyl)-alpha-D-glucopyranosyl alpha-D-glucopyranoside
[1-methyl-1-[(9R)-9-(3-methylbut-2-enoyloxy)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]ethyl] (E)-2-methylbut-2-enoate
N-cyclohexyl-2-[(2R,3S,6S)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-cyclohexyl-2-[(2S,3S,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-cyclohexyl-2-[(2S,3R,6S)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-cyclohexyl-2-[(2R,3R,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-cyclohexyl-2-[(2S,3S,6S)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide
N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide
[(1R,2aR,8bR)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(4-oxanyl)methanone
[(3aR,4R,9bR)-4-(hydroxymethyl)-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(3-fluorophenyl)methanone
N-cyclohexyl-2-[(2S,3R,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-cyclohexyl-2-[(2R,3S,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-cyclohexyl-2-[(2R,3R,6S)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide
N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide
N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide
[(1S,2aR,8bR)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(4-oxanyl)methanone
[(1S,2aS,8bS)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(4-oxanyl)methanone
[(1R,2aS,8bS)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(4-oxanyl)methanone
3,4,5-Trihydroxy-6-[2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoyl]oxyoxane-2-carboxylic acid
[8-[2-(3-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
anhydrotetracycline zwitterion
Zwitterionic form of anhydrotetracycline arising from transfer of a proton from the 2-hydroxy to the tertiary amino group; major species at pH 7.3.
Archangelicin
(2r,3s)-3-[(1s,14s,15r)-11-hydroxy-4,12,14,15-tetramethyl-3,6-dioxo-8,16-dioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-2(7),4,9(17),10,12-pentaen-5-yl]butan-2-yl formate
1,3,6-trihydroxy-2-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-5-methoxy-7-(3-methylbut-2-en-1-yl)xanthen-9-one
3-(4-hydroxy-2-methyl-6-oxocyclohexyl)-6a-methyl-9-(2-methylbutanoyl)furo[2,3-h]isochromene-6,8-dione
6-(2,3-dihydroxy-3-methylbutyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
2,5-bis(acetyloxy)-7-[3-(acetyloxy)-6-oxo-2,3-dihydropyran-2-yl]hept-6-en-3-yl acetate
5-hydroxy-4-(7-methoxy-4-oxo-2-phenyl-2,3-dihydro-1-benzopyran-8-yl)-2,2-dimethyloxolan-3-yl acetate
(9s,10s)-8,8-dimethyl-10-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxo-9h,10h-pyrano[2,3-h]chromen-9-yl (2z)-2-methylbut-2-enoate
2-[(1r,2r)-1,2-dihydroxypropyl]-7-methoxy-5-methyl-8-[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
8,8-dimethyl-10-[(2-methylbut-2-enoyl)oxy]-2-oxo-9h,10h-pyrano[2,3-h]chromen-9-yl 3-methylbut-2-enoate
3-(2-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}propyl)-8-hydroxy-6-methoxyisochromen-1-one
(3s)-3-ethyl-7-hydroxy-3,6-dimethyl-1-oxo-2-benzofuran-5-yl 6-[(2e)-but-2-en-2-yl]-2,4-dihydroxy-3-methylbenzoate
3,6-bis(acetyloxy)-1-[3-(acetyloxy)-6-oxo-2,3-dihydropyran-2-yl]hept-1-en-4-yl acetate
3,6,8-trihydroxy-2-methoxy-1-({1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl}methyl)xanthen-9-one
9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-(4-methoxyphenyl)acetate
1-[(2r,3s)-5-hydroxy-3-methoxy-2-(3-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl]ethanone
6-[(2s)-2,3-dihydroxy-3-methylbutyl]-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
2,3,12,15,16-pentahydroxy-17-(hydroxymethyl)-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-4,11-dione
(1r,2r,3r,6s,7r,8s,12s,13s,14r,15r,16s,17r)-2,3,7,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-4,11-dione
3-{3-hydroxy-4-[(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-en-1-yl)oxy]phenyl}prop-2-enoic acid
7-hydroxy-6-(2-hydroxy-3-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)chromen-2-one
2-[(1r,2s)-1,2-dihydroxypropyl]-7-methoxy-5-methyl-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
(3s)-3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-1,11-dioxatetracen-6-one
1,3,6-trihydroxy-2-(4-hydroxy-3-methylbut-2-en-1-yl)-7-methoxy-8-(3-methylbut-2-en-1-yl)xanthen-9-one
10-{[2-(4-hydroxyphenyl)ethyl]amino}-5,11-dimethoxy-16-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
3-[(2s)-2-{[(2r,3s,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}propyl]-8-hydroxy-6-methoxyisochromen-1-one
7-hydroxy-8-[(2r)-2-hydroxy-3-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]chromen-2-one
(3r)-3-(2h-1,3-benzodioxol-5-yl)-1-(5,8-dimethoxy-2,2-dimethylchromen-6-yl)-3-methoxypropan-1-one
7,12-dihydroxy-10-(3-hydroxy-3-methylbutyl)-9-methoxy-2,2-dimethyl-1,11-dioxatetracen-6-one
[(6R,7S)-8,8-dimethyl-7-(3-methylbut-2-enoyloxy)-2-oxo-6,7-dihydropyrano[5,6-g]chromen-6-yl] 3-methylbut-2-enoate
{"Ingredient_id": "HBIN012782","Ingredient_name": "[(6R,7S)-8,8-dimethyl-7-(3-methylbut-2-enoyloxy)-2-oxo-6,7-dihydropyrano[5,6-g]chromen-6-yl] 3-methylbut-2-enoate","Alias": "3-methylbut-2-enoic acid [(6R,7S)-8,8-dimethyl-7-(3-methyl-1-oxobut-2-enoxy)-2-oxo-6,7-dihydropyrano[5,6-g]chromen-6-yl] ester; 3-methylbut-2-enoic acid [(6R,7S)-2-keto-8,8-dimethyl-7-(3-methylbut-2-enoyloxy)-6,7-dihydropyrano[5,6-g]chromen-6-yl] ester","Ingredient_formula": "C24H26O7","Ingredient_Smile": "NA","Ingredient_weight": "426.46","OB_score": "48.72928062","CAS_id": "23027-48-7","SymMap_id": "SMIT13867","TCMID_id": "NA","TCMSP_id": "MOL013177","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
archangelicin
{"Ingredient_id": "HBIN016605","Ingredient_name": "archangelicin","Alias": "[1-methyl-1-[(9R)-9-(3-methylbut-2-enoyloxy)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]ethyl] (E)-2-methylbut-2-enoate; CHEBI:2808","Ingredient_formula": "C24H26O7","Ingredient_Smile": "CC=C(C)C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C(=CC)C","Ingredient_weight": "426.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT01274","TCMID_id": "1619","TCMSP_id": "NA","TCM_ID_id": "6709","PubChem_id": "133562226","DrugBank_id": "NA"}