Exact Mass: 498.15980060000004
Exact Mass Matches: 498.15980060000004
Found 500 metabolites which its exact mass value is equals to given mass value 498.15980060000004
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Musabalbisiane B
Musabalbisiane B is found in fruits. Musabalbisiane B is a constituent of Musa balbisiana. Constituent of Musa balbisiana. Musabalbisiane B is found in fruits.
Eucaglobulin
Eucaglobulin is a constituent of Eucalyptus globulus (Tasmanian blue gum). Constituent of Eucalyptus globulus (Tasmanian blue gum)
Artonol D
Artonol D is found in breadfruit. Artonol D is a constituent of the bark of Artocarpus communis (breadfruit) Constituent of the bark of Artocarpus communis (breadfruit). Artonol D is found in breadfruit and fruits.
Dukunolide B
C26H26O10 (498.15258960000006)
Dukunolide B is found in fruits. Dukunolide B is from Lansium domesticum (langsat
7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists
Tyr-Val-Ala-Asp-chloromethyl ketone
Verproside
C22H26O13 (498.13733460000003)
Interiotherin B
A lignan with a dibenzocyclooctadiene skeleton attached to a fatty acid ester side chain. It is isolated from Kadsura interior and has been shown to exhibit anti-HIV activity.
phylloflavan
C26H26O10 (498.15258960000006)
Artonol D
5,8-dihydroxy-2-methyl[1,4]naphthoquinone-5-O-beta-xylopyranosyl-(1->6)-beta-glucopyranoside|diospyroside B
C22H26O13 (498.13733460000003)
brianthein X
C24H31ClO9 (498.16565060000005)
1-O-beta-D-(2,4-dihydroxy-6-methoxyphenyl)-6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-glucopyranoside
C22H26O13 (498.13733460000003)
3,4,5-Trimethoxyphenyl-(6-O-galloyl)-O-EC-D-glucopyranoside
C22H26O13 (498.13733460000003)
7-oxo-8,9-dihydroxy-4-N-demethyl-staurosporine trifluoroacetate
piceatannol 4-O-beta-D-glucopyranoside
C26H26O10 (498.15258960000006)
junceellonoid D|rel-(1R,2R,3R,4S,6R,7S,8S,9R,10R,14R,17R)-9,13-bis(acetyloxy)-4-chloro-3a,4,6,7,8,8a,9,10,11,12,12a,13-dodecahydro-7,8-dihydroxy-1,8a-dimethyl-5,12-dimethylene-5H-6,13a-epoxybenzo[1,5]cyclodeca[1,2-b]furan-2(1H)-one
C24H31ClO9 (498.16565060000005)
1-(O-2,4,6-trimethoxyphenyl)-6-(O-galloyl)-beta-D-glucopyranoside|2,4,6-trimethoxyphenol 1-O-beta-D-(6-O-galloyl)-glucopyranoside
C22H26O13 (498.13733460000003)
1-O-3,4,5-trimethoxyphenyl-(2-O-galloyl)-beta-D-glucopyranoside
C22H26O13 (498.13733460000003)
2,3-dimethoxy-4,6,alpha,beta-tetrahydroxy-alpha-chalcanol-4-O-beta-D-glucopyranoside|trifochalcanoloside III
3-(4-methoxyphenyl)-7-({6-O-[(E)-1-oxobut-2-en-1-yl]-beta-D-glucopyranosyl}oxy)-4H-1-benzopyran-4-one|4-methoxyisoflavone 7-O-beta-D-{6-[(E)-but-2-enoyl]}glycoside|ammopiptanoside A
C26H26O10 (498.15258960000006)
4-O-glucopyranosyl-4,5-dihydroxy-2,2-dimethylpyran[5,6;6,7]isoflavone|alpinumisoflavone 4-O-beta-glucopyranoside
C26H26O10 (498.15258960000006)
(2S)-dihydrotricin 4-O-(threo-beta-4-hydroxyphenylglyceryl) ether|calquiquelignan C
C26H26O10 (498.15258960000006)
vanilloyl-1.O-beta-D-glucoside acetate
C22H26O13 (498.13733460000003)
10-O-protocatechuyl-catalpol|verproside
C22H26O13 (498.13733460000003)
3,5-dihydroxy-4-[3,4,5-trihydroxy-6-[[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl]oxybenzoic acid
C22H26O13_(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl 3,4-dihydroxybenzoate
C22H26O13 (498.13733460000003)
C23H30O12_3,4-Dihydroxy-5-[(6-O-{[4-(2-hydroxy-2-propanyl)-1-cyclohexen-1-yl]carbonyl}-beta-D-glucopyranosyl)oxy]benzoic acid
Verproside
C22H26O13 (498.13733460000003)
A natural product found in Veronica lavaudiana.
3,5-dihydroxy-4-[3,4,5-trihydroxy-6-[[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl]oxybenzoic acid
3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl]oxybenzoic acid
3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl]oxybenzoic acid_77.3\\%
3,5-dihydroxy-4-[3,4,5-trihydroxy-6-[[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl]oxybenzoic acid_major
3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl]oxybenzoic acid_major
3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl]oxybenzoic acid_74.0\\%
3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl]oxybenzoic acid_60.8\\%
Ala Asp Met Tyr
Ala Asp Tyr Met
Ala Met Asp Tyr
Ala Met Tyr Asp
Ala Tyr Asp Met
Ala Tyr Met Asp
Cys Cys His His
Cys Asp Asp Phe
C20H26N4O9S (498.1420426000001)
Cys Asp Phe Asp
C20H26N4O9S (498.1420426000001)
Cys Asp Met Met
Cys Asp Val Tyr
Cys Asp Tyr Val
Cys Glu Phe Thr
Cys Glu Thr Phe
Cys Phe Asp Asp
C20H26N4O9S (498.1420426000001)
Cys Phe Glu Thr
Cys Phe Thr Glu
Cys His Cys His
Cys His His Cys
Cys Met Asp Met
Cys Met Met Asp
Cys Thr Glu Phe
Cys Thr Phe Glu
Cys Val Asp Tyr
Cys Val Tyr Asp
Cys Tyr Asp Val
Cys Tyr Val Asp
Asp Ala Met Tyr
Asp Ala Tyr Met
Asp Cys Asp Phe
C20H26N4O9S (498.1420426000001)
Asp Cys Phe Asp
C20H26N4O9S (498.1420426000001)
Asp Cys Met Met
Asp Cys Val Tyr
Asp Cys Tyr Val
Asp Asp Cys Phe
C20H26N4O9S (498.1420426000001)
Asp Asp Phe Cys
C20H26N4O9S (498.1420426000001)
Asp Asp Ser Tyr
C20H26N4O11 (498.15980060000004)
Asp Asp Tyr Ser
C20H26N4O11 (498.15980060000004)
Asp Phe Cys Asp
C20H26N4O9S (498.1420426000001)
Asp Phe Asp Cys
C20H26N4O9S (498.1420426000001)
Asp Phe Met Ser
Asp Phe Ser Met
Asp His Met Pro
Asp His Asn Asn
C18H26N8O9 (498.18226660000005)
Asp His Pro Met
Asp Met Ala Tyr
Asp Met Cys Met
Asp Met Phe Ser
Asp Met His Pro
Asp Met Met Cys
Asp Met Pro His
Asp Met Ser Phe
Asp Met Tyr Ala
Asp Asn His Asn
C18H26N8O9 (498.18226660000005)
Asp Asn Asn His
C18H26N8O9 (498.18226660000005)
Asp Pro His Met
Asp Pro Met His
Asp Ser Asp Tyr
C20H26N4O11 (498.15980060000004)
Asp Ser Phe Met
Asp Ser Met Phe
Asp Ser Tyr Asp
C20H26N4O11 (498.15980060000004)
Asp Thr Thr Tyr
Asp Thr Tyr Thr
Asp Val Cys Tyr
Asp Val Tyr Cys
Asp Tyr Ala Met
Asp Tyr Cys Val
Asp Tyr Asp Ser
C20H26N4O11 (498.15980060000004)
Asp Tyr Met Ala
Asp Tyr Ser Asp
C20H26N4O11 (498.15980060000004)
Asp Tyr Thr Thr
Asp Tyr Val Cys
Glu Cys Phe Thr
Glu Cys Thr Phe
Glu Phe Cys Thr
Glu Phe Thr Cys
Glu Gly Met Tyr
Glu Gly Tyr Met
Glu Met Gly Tyr
Glu Met Tyr Gly
Glu Ser Thr Tyr
Glu Ser Tyr Thr
Glu Thr Cys Phe
Glu Thr Phe Cys
Glu Thr Ser Tyr
Glu Thr Tyr Ser
Glu Tyr Gly Met
Glu Tyr Met Gly
Glu Tyr Ser Thr
Glu Tyr Thr Ser
Phe Cys Asp Asp
C20H26N4O9S (498.1420426000001)
Phe Cys Glu Thr
Phe Cys Thr Glu
Phe Asp Cys Asp
C20H26N4O9S (498.1420426000001)
Phe Asp Asp Cys
C20H26N4O9S (498.1420426000001)
Phe Asp Met Ser
Phe Asp Ser Met
Phe Glu Cys Thr
Phe Glu Thr Cys
Phe Met Asp Ser
Phe Met Ser Asp
Phe Ser Asp Met
Phe Ser Met Asp
Phe Thr Cys Glu
Phe Thr Glu Cys
Gly Glu Met Tyr
Gly Glu Tyr Met
Gly Met Glu Tyr
Gly Met Tyr Glu
Gly Tyr Glu Met
Gly Tyr Met Glu
His Cys Cys His
His Cys His Cys
His Asp Met Pro
His Asp Asn Asn
C18H26N8O9 (498.18226660000005)
His Asp Pro Met
His His Cys Cys
His Met Asp Pro
His Met Pro Asp
His Asn Asp Asn
C18H26N8O9 (498.18226660000005)
His Asn Asn Asp
C18H26N8O9 (498.18226660000005)
His Pro Asp Met
His Pro Met Asp
Met Ala Asp Tyr
Met Ala Tyr Asp
Met Cys Asp Met
Met Cys Met Asp
Met Asp Ala Tyr
Met Asp Cys Met
Met Asp Phe Ser
Met Asp His Pro
Met Asp Met Cys
Met Asp Pro His
Met Asp Ser Phe
Met Asp Tyr Ala
Met Glu Gly Tyr
Met Glu Tyr Gly
Met Phe Asp Ser
Met Phe Ser Asp
Met Gly Glu Tyr
Met Gly Tyr Glu
Met His Asp Pro
Met His Pro Asp
Met Met Cys Asp
Met Met Asp Cys
Met Met Met Ser
C18H34N4O6S3 (498.16403840000004)
Met Met Ser Met
C18H34N4O6S3 (498.16403840000004)
Met Pro Asp His
Met Pro His Asp
Met Ser Asp Phe
Met Ser Phe Asp
Met Ser Met Met
C18H34N4O6S3 (498.16403840000004)
Met Tyr Ala Asp
Met Tyr Asp Ala
Met Tyr Glu Gly
Met Tyr Gly Glu
Asn Asp His Asn
C18H26N8O9 (498.18226660000005)
Asn Asp Asn His
C18H26N8O9 (498.18226660000005)
Asn His Asp Asn
C18H26N8O9 (498.18226660000005)
Asn His Asn Asp
C18H26N8O9 (498.18226660000005)
Asn Asn Asp His
C18H26N8O9 (498.18226660000005)
Asn Asn His Asp
C18H26N8O9 (498.18226660000005)
Pro Asp His Met
Pro Asp Met His
Pro His Asp Met
Pro His Met Asp
Pro Met Asp His
Pro Met His Asp
Ser Asp Asp Tyr
C20H26N4O11 (498.15980060000004)
Ser Asp Phe Met
Ser Asp Met Phe
Ser Asp Tyr Asp
C20H26N4O11 (498.15980060000004)
Ser Glu Thr Tyr
Ser Glu Tyr Thr
Ser Phe Asp Met
Ser Phe Met Asp
Ser Met Asp Phe
Ser Met Phe Asp
Ser Met Met Met
C18H34N4O6S3 (498.16403840000004)
Ser Tyr Asp Asp
C20H26N4O11 (498.15980060000004)
Thr Cys Glu Phe
Thr Cys Phe Glu
Thr Glu Cys Phe
Thr Glu Phe Cys
Thr Phe Cys Glu
Thr Phe Glu Cys
Val Cys Asp Tyr
Val Cys Tyr Asp
Val Asp Cys Tyr
Val Asp Tyr Cys
Val Tyr Cys Asp
Val Tyr Asp Cys
Tyr Ala Asp Met
Tyr Ala Met Asp
Tyr Cys Asp Val
Tyr Cys Val Asp
Tyr Asp Ala Met
Tyr Asp Cys Val
Tyr Asp Asp Ser
C20H26N4O11 (498.15980060000004)
Tyr Asp Met Ala
Tyr Asp Ser Asp
C20H26N4O11 (498.15980060000004)
Tyr Asp Val Cys
Tyr Glu Gly Met
Tyr Glu Met Gly
Tyr Gly Glu Met
Tyr Gly Met Glu
Tyr Met Ala Asp
Tyr Met Asp Ala
Tyr Met Glu Gly
Tyr Met Gly Glu
Tyr Ser Asp Asp
C20H26N4O11 (498.15980060000004)
Tyr Val Cys Asp
Tyr Val Asp Cys
Dukunolide B
C26H26O10 (498.15258960000006)
Eucaglobulin
Musabalbisiane B
3,5-Dihydroxy-4-[(6-O-{[4-(2-hydroxy-2-propanyl)-1-cyclohexen-1-yl]carbonyl}hexopyranosyl)oxy]benzoic acid
N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[(2-methoxy-4-nitrophenyl)azo]naphthalene-2-carboxamide
C25H18N6O6 (498.12877679999997)
Nicotine Bitartrate
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D005731 - Ganglionic Stimulants C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist > C73579 - Nicotinic Agonist D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D000077444 - Smoking Cessation Agents
Methotrexate sodium
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents D003879 - Dermatologic Agents
α,ω-Dihexylquaterthiophene,5,5μ-Bis(3-hexyl-2-thienyl)-2,2μ-bithiophene,DH-4T
Clobenoside
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
promethazine teoclate
C24H27ClN6O2S (498.16046320000004)
C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
6-methoxy-3-(4-methoxyphenyl)-3-phenylbenzo[h]indeno[2,1-f]chromen-13(3H)-one
1,7-Diazaspiro[4.5]dec-9-en-2-one, 8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-, (5R,8S)-
C25H24F6N2O2 (498.1741875999999)
[(6S,8S,9R,10S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-10,13,16-trimethyl-3,11-dioxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate
C25H29F3O5S (498.16877000000005)
benzene-1,3-dicarboxylic acid,2,2-dimethylpropane-1,3-diol,ethane-1,2-diol,terephthalic acid
[4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl]-(3,4,5,6-Tetrahydro-2h-[1,4]Bipyridinyl-4-Yl)-Methanone
C25H27ClN4O3S (498.14923020000003)
N-(2-methoxyethyl)-2-[[3-[(4-methoxyphenyl)methyl]-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]acetamide
[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]azanium
(2S)-2-[6-[(3-methyl-1-oxo-2H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1H-isoindol-2-yl]pentanedioate
7-oxo-8,9-dihydroxy-4-N-demethyl staurosporine
A indolocarbazole alkaloid that is 4-N-demethyl staurosporine substituted by hydroxy groups at positions 8 and 9 and an xo group at position 7. Isolated from Cystodytes solitus, it exhibits antineoplastic activity.
[4-[(E)-[(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Cys-Cys-His-His
A tetrapeptide composed of two L-cysteine units joined to two L-histidine units by a peptide linkage.
allyl 3-deoxy-4-O-(3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl)-alpha-D-manno-oct-2-ulopyranosidonic acid
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 4-methylbenzenesulfonate
C24H26N4O6S (498.15729760000005)
alpha-Kdo-(2->8)-alpha-Kdo-OAll
A disaccharide derivative consisting of two 3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl units joined via an alpha-(2->8)-linkage with an O-allyl group at the anomeric centre.
N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-2-thiazolyl]-2-(4-morpholinyl)acetamide
C24H26N4O4S2 (498.13953960000003)
5-cyano-6-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
(2R)-2-azaniumyl-4-{4-[(1Z)-2-({(3S)-1-[(R)-carboxylato(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-N-oxido-2-oxoethanimidoyl]phenoxy}butanoate
4-Methyl-2-(6,13,15-trioxo-9-phenyl-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-en-14-yl)pentanoic acid
C25H26N2O5S2 (498.12830660000003)
(1R)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonyl-N-phenyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide
(1S,9R,10R,11R)-5-(4-fluorophenyl)-10-(hydroxymethyl)-12-(3-methylphenyl)sulfonyl-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylic acid
(2R,3R,3aS,9bS)-7-(1-cyclopentenyl)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-(2-pyridin-4-ylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(1S)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonyl-N-phenyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide
(2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-(2-pyridin-4-ylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(1R,9S,10S,11S)-5-(4-fluorophenyl)-10-(hydroxymethyl)-12-(3-methylphenyl)sulfonyl-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylic acid
(2S,3S,3aR,9bR)-1-[(2,5-difluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-7-[(E)-prop-1-enyl]-N-(1,3-thiazol-2-yl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2R,3R,3aS,9bS)-1-[(2,5-difluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-7-[(E)-prop-1-enyl]-N-(1,3-thiazol-2-yl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists
alpha-Kdo-(2->4)-alpha-Kdo-OAll
A disaccharide derivative consisting of two 3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl units joined via an alpha-(2->4)-linkage with an O-allyl group at the anomeric centre.
isonocardicin A(2-)
An oxime anion that is the major structure of isonocardicin A at pH 7.3.
nocardicin A(2-)
A dicarboxylic acid dianion that is the major structure of isonocardicin A at pH 7.3 (according to Marvin v 6.2.0.).
[(3s,4r,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl furan-2-carboxylate
C22H26O13 (498.13733460000003)
(5br,9r,9as,10s)-9-(3,4-dihydroxyphenyl)-10-(4-hydroxy-2-methoxyphenyl)-7-methyl-8,9,9a,10-tetrahydro-5bh-1,11-dioxatetraphen-2-one
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(2,4,6-trimethoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
C22H26O13 (498.13733460000003)
1,3,3'-trihydroxy-1',2'-dimethoxy-2-methyl-9'h-[4,9'-bixanthen]-9-one
(2r,4r,5r,6s)-5-methoxy-6-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),17,20(27),21(26),22,24-decaene-9,18,23-triol
C28H26N4O5 (498.19031060000003)
(2s,3r,4r,5r,6s)-2-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-{[8-hydroxy-3-(hydroxymethyl)naphthalen-1-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
(1s,12r,13r,14s,15r)-15-hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.0¹,¹⁶.0⁴,²¹.0⁵,⁹]henicosa-4(21),5(9),10,16,18-pentaen-12-yl (2z)-2-methylbut-2-enoate
methyl (2e)-3-[(1r,2r,7s,8s,12s)-7-(furan-3-yl)-1,8,15,15-tetramethyl-5,17,18-trioxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate
[(1s,3s,4ar,5s,7as)-5-hydroxy-3-methoxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,3h,4h,4ah,5h,7ah-cyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
(3s)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-2-benzofuran-5-yl)-4-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hex-4-enoic acid
(4as,12s,12as)-3-acetyl-4,4a,6,7,12,12a-hexahydroxy-9-methoxy-11-(3-methylbut-2-en-1-yl)-1,12-dihydrotetracene-2,5-dione
C26H26O10 (498.15258960000006)
methyl (2e)-3-[(1r,2r,4s,7s,8s,11r,12s,16r)-7-(furan-3-yl)-1,8,15,15-tetramethyl-5,17,18-trioxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate
(1r,2r,3s,4s,6r,8s,9r,10s,12s,14s,15r,18r)-10-(acetyloxy)-14-chloro-2-hydroxy-4,9,18-trimethyl-13-methylidene-17-oxo-5,16,19-trioxapentacyclo[10.6.1.0¹,¹⁵.0³,⁹.0⁴,⁶]nonadecan-8-yl acetate
C24H31ClO9 (498.16565060000005)
[(1as,1bs,3r,3ar,5s,7br,9r,9ar)-9-(acetyloxy)-5-[(1r)-1-bromo-2-hydroxyethyl]-3-hydroxy-5,7b-dimethyl-1h,1bh,2h,3h,3ah,4h,6h,8h,9h,9ah-cyclopropa[a]phenanthren-1a-yl]methyl acetate
C24H35BrO6 (498.16168700000003)
(1s,18s,19s,20s)-19-ethenyl-18-{[(2s,3r,4s,5s,6s)-3,4,5,6-tetrahydroxyoxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-2(11),4,6,8,15-pentaene-10,14-dione
(3r,4as,10ar)-3-chloro-10a-{[(1s,3s,6s)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl}-6,8-dihydroxy-2,2-dimethyl-3h,4h,4ah-naphtho[2,3-b]pyran-5,10-dione
(11r,12s,13s)-12-hydroxy-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2,4(8),9,16,21-hexaen-11-yl (2e)-2-methylbut-2-enoate
15-hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.0¹,¹⁶.0⁴,²¹.0⁵,⁹]henicosa-4(21),5(9),10,16,18-pentaen-12-yl 2-methylbut-2-enoate
6-O-vanilloylajugol
{"Ingredient_id": "HBIN012725","Ingredient_name": "6-O-vanilloylajugol","Alias": "6-O-Vanilloylajugol; 6-o-vanilloylajugol","Ingredient_formula": "C23H30O12","Ingredient_Smile": "CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C4=CC(=C(C=C4)O)OC)O","Ingredient_weight": "498.5 g/mol","OB_score": "23.43527208","CAS_id": "NA","SymMap_id": "SMIT05763;SMIT18155","TCMID_id": "22323","TCMSP_id": "MOL003733;MOL004615","TCM_ID_id": "NA","PubChem_id": "14396664","DrugBank_id": "NA"}
2-acetyl-3,4a,5,10,11,12a-hexahydroxy-8-methoxy-6-(3-methylbut-2-en-1-yl)-4,5-dihydrotetracene-1,12-dione
C26H26O10 (498.15258960000006)
[3,4,5-trihydroxy-6-(2,4,6-trimethoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
C22H26O13 (498.13733460000003)
7-(acetyloxy)-13-chloro-9,10-dihydroxy-8,17-dimethyl-4,12-dimethylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan-2-yl acetate
C24H31ClO9 (498.16565060000005)
5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-3-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}pyrano[2,3-h]chromen-4-one
C26H26O10 (498.15258960000006)
9-(3,4-dihydroxyphenyl)-10-(4-hydroxy-2-methoxyphenyl)-7-methyl-8,9,9a,10-tetrahydro-5bh-1,11-dioxatetraphen-2-one
3-hydroxy-8-methoxy-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,4-dihydrotetraphene-1,7,12-trione
C26H26O10 (498.15258960000006)
(1r,3s,6r,8s,11s,12s,16r,17s,20s)-16-(furan-3-yl)-3,12-dihydroxy-5,5,11,17-tetramethyl-7,10,15,21-tetraoxaheptacyclo[11.8.1.0¹,²⁰.0³,¹².0⁶,⁸.0⁶,¹¹.0¹⁷,²²]docos-13(22)-ene-4,9,14-trione
C26H26O10 (498.15258960000006)
3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-{[4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carbonyloxy]methyl}oxan-2-yl)oxy]benzoic acid
[(1s,2s,4s,5s,6r,10s)-5-hydroxy-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl]methyl 3,4-dihydroxybenzoate
C22H26O13 (498.13733460000003)
(2r,3s,4r,5r,6s)-2-{[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-{[8-hydroxy-3-(hydroxymethyl)naphthalen-1-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
2-[5-hydroxy-2,3-dimethoxy-4-(1,2,3-trihydroxy-3-phenylpropyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,4ar,5r,7s,7as)-7-hydroxy-7-methyl-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 4-hydroxy-3-methoxybenzoate
(1r,2s,3s,7s,8s,9r,10s,11r,13s,14r,17r)-7-(acetyloxy)-13-chloro-9,10-dihydroxy-8,17-dimethyl-4,12-dimethylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan-2-yl acetate
C24H31ClO9 (498.16565060000005)
4-amino-11,12,18-trihydroxy-5-methoxy-6-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),17,20(27),21(26),22,24-decaen-16-one
5-(carboxymethyl)-5-formyl-5'-(furan-3-yl)-2',4,6-trihydroxy-2,8a-bis(hydroxymethyl)-hexahydrospiro[naphthalene-1,3'-oxolane]-4a-carboxylic acid
(1s,2s,3r,4r,7s,8e,10e,12s,13s,14r,16s,17r,18r)-2-(acetyloxy)-9-(chloromethyl)-3,12-dihydroxy-4,13,18-trimethyl-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadeca-8,10-dien-17-yl acetate
C24H31ClO9 (498.16565060000005)
(2r,4r,5r,6s)-4-amino-11,12,18-trihydroxy-5-methoxy-6-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),17,20(27),21(26),22,24-decaen-16-one
(2s,3r,4s,5s,6r)-2-{5-hydroxy-2,3-dimethoxy-4-[(1s,2s,3s)-1,2,3-trihydroxy-3-phenylpropyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
3-[(2r,3r)-2-(furan-3-yl)-4-[(1s,7r,8s,9s)-9-(methoxycarbonyl)-7,11,11-trimethyl-5,10-dioxatricyclo[6.2.1.0²,⁶]undeca-2(6),3-dien-4-yl]-3-methyl-6-oxo-2h-pyran-3-yl]propanoic acid
3-(acetyloxy)-5-(1-bromo-2-hydroxyethyl)-1a-(hydroxymethyl)-5,7b-dimethyl-1h,1bh,2h,3h,3ah,4h,6h,8h,9h,9ah-cyclopropa[a]phenanthren-9-yl acetate
C24H35BrO6 (498.16168700000003)
2-[9-(acetyloxy)-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1h,1bh,2h,3h,3ah,4h,6h,8h,9h,9ah-cyclopropa[a]phenanthren-5-yl]-2-bromoethyl acetate
C24H35BrO6 (498.16168700000003)
3,6,27,29-tetrahydroxy-19-oxa-10,12,26,28-tetraazaheptacyclo[23.2.2.2²⁰,²³.1¹⁰,¹⁴.0³,¹¹.0⁴,⁹.0¹³,¹⁸]dotriaconta-4,6,8,13(18),14,16,20,22,26,28,30-undecaen-32-one
n-[(2s,3r,4r,6r)-6-{12,19-dihydroxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaen-3-yl}-3-hydroxy-2-methyloxan-4-yl]ethanimidic acid
C28H26N4O5 (498.19031060000003)
(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3,4,5-trimethoxyphenoxy)oxan-3-yl 3,4,5-trihydroxybenzoate
C22H26O13 (498.13733460000003)
(8s)-1-{[(2s,3s,4s,5r,6r)-4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl]oxy}-8,11-dihydroxy-8-methyl-9,10-dihydro-7h-tetracene-5,12-dione
(5-{[4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl)methyl furan-2-carboxylate
C22H26O13 (498.13733460000003)
[9-(acetyloxy)-5-(1-bromo-2-hydroxyethyl)-3-hydroxy-5,7b-dimethyl-1h,1bh,2h,3h,3ah,4h,6h,8h,9h,9ah-cyclopropa[a]phenanthren-1a-yl]methyl acetate
C24H35BrO6 (498.16168700000003)
8-hydroxy-2-methyl-5-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]naphthalene-1,4-dione
C22H26O13 (498.13733460000003)
2-[(4,5-dihydroxy-2-{[8-hydroxy-3-(hydroxymethyl)naphthalen-1-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol
[(3s,4s,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl furan-2-carboxylate
C22H26O13 (498.13733460000003)
(2s)-1-[3-(3-{[(1s,2r)-1-carboxy-2-hydroxypropyl]carbamoyl}-6-hydroxy-9h-pyrido[3,4-b]indol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
(1s,2r,3s,4r,7s,8e,10z,12s,13s,14r,16s,17r,18r)-2-(acetyloxy)-9-(chloromethyl)-3,12-dihydroxy-4,13,18-trimethyl-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadeca-8,10-dien-17-yl acetate
C24H31ClO9 (498.16565060000005)
5-hydroxy-8,8-dimethyl-3-(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)pyrano[3,2-g]chromen-4-one
C26H26O10 (498.15258960000006)
5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}pyrano[2,3-h]chromen-4-one
C26H26O10 (498.15258960000006)
2-(4-{4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-2-hydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
C26H26O10 (498.15258960000006)
methyl 3-[7-(furan-3-yl)-1,8,15,15-tetramethyl-5,17,18-trioxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate
(2r,3r,4r,5s,6r)-5-{5-hydroxy-2,3-dimethoxy-4-[(1s,2s,3s)-1,2,3-trihydroxy-3-phenylpropyl]phenoxy}-6-(hydroxymethyl)oxane-2,3,4-triol
(5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl)methyl 3,4-dihydroxybenzoate
C22H26O13 (498.13733460000003)
3-[2-(furan-3-yl)-4-[9-(methoxycarbonyl)-7,11,11-trimethyl-5,10-dioxatricyclo[6.2.1.0²,⁶]undeca-2(6),3-dien-4-yl]-3-methyl-6-oxo-2h-pyran-3-yl]propanoic acid
(12s)-17-hydroxy-7,7,21,21-tetramethyl-12-(prop-1-en-2-yl)-8,20,26-trioxahexacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁶,²⁵.0¹⁹,²⁴]hexacosa-1(14),2(11),4(9),5,16,18,22,24-octaene-3,10,15-trione
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
C22H26O13 (498.13733460000003)
(2r)-2-[(1ar,1br,3s,3as,5r,7bs,9s,9as)-9-(acetyloxy)-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1h,1bh,2h,3h,3ah,4h,6h,8h,9h,9ah-cyclopropa[a]phenanthren-5-yl]-2-bromoethyl acetate
C24H35BrO6 (498.16168700000003)
(1s,12s,13r,14s,15r)-15-hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.0¹,¹⁶.0⁴,²¹.0⁵,⁹]henicosa-4(21),5(9),10,16,18-pentaen-12-yl (2e)-2-methylbut-2-enoate
{3,4,5-trihydroxy-6-[4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carbonyloxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoate
2-(acetyloxy)-9-(chloromethyl)-3,12-dihydroxy-4,13,18-trimethyl-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadeca-8,10-dien-17-yl acetate
C24H31ClO9 (498.16565060000005)
2-[10-(acetyloxy)-2a,4-dihydroxy-6,8b-dimethyl-1h,2h,2bh,3h,4h,4ah,5h,7h,9h,10h,10ah-cyclobuta[a]phenanthren-6-yl]-2-bromoethyl acetate
C24H35BrO6 (498.16168700000003)
[(2r,3s,4s,5r,6s)-6-(2,4-dihydroxy-6-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
C22H26O13 (498.13733460000003)
(2s,3r,4r,5r,6s)-2-{[(2s,3r,4s,5r,6r)-4,5-dihydroxy-2-{[8-hydroxy-3-(hydroxymethyl)naphthalen-1-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
(1r,2r,3s,4r,6s,8s,9s,10r,12s,14s,15r,18r)-10-(acetyloxy)-14-chloro-2-hydroxy-4,9,18-trimethyl-13-methylidene-17-oxo-5,16,19-trioxapentacyclo[10.6.1.0¹,¹⁵.0³,⁹.0⁴,⁶]nonadecan-8-yl acetate
C24H31ClO9 (498.16565060000005)
(2s,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl (3r)-5-(3,4-dihydroxyphenyl)-3-hydroxypentanoate
C26H26O10 (498.15258960000006)
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-{[(4r)-4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carbonyloxy]methyl}oxan-2-yl 3,4,5-trihydroxybenzoate
(1s,2r,3r,4r,7r,8s,10z,12r,13s,14r,16s,17s,18r)-2-(acetyloxy)-8-chloro-3,12-dihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadec-10-en-17-yl acetate
C24H31ClO9 (498.16565060000005)
8-hydroxy-2-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}naphthalene-1,4-dione
C22H26O13 (498.13733460000003)
5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-3-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}pyrano[2,3-h]chromen-4-one
C26H26O10 (498.15258960000006)
1-(3-{[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-8-yl]methyl}-2,4-dihydroxy-6-methoxy-5-methylphenyl)ethanone
C26H26O10 (498.15258960000006)
1-(3-{3-[(1-carboxy-2-hydroxypropyl)carbamoyl]-6-hydroxy-9h-pyrido[3,4-b]indol-1-yl}propanoyl)pyrrolidine-2-carboxylic acid
n-[(2s,3r,4r,6r)-6-{7,12-dihydroxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaen-3-yl}-3-hydroxy-2-methyloxan-4-yl]ethanimidic acid
C28H26N4O5 (498.19031060000003)
6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-2-benzofuran-5-yl)-4-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hex-4-enoic acid
(1s,2s,3r,4r,7s,8z,10e,12s,13s,14r,16s,17r,18r)-2-(acetyloxy)-9-(chloromethyl)-3,12-dihydroxy-4,13,18-trimethyl-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadeca-8,10-dien-17-yl acetate
C24H31ClO9 (498.16565060000005)
(1r,2r,6s,7s,8r,10s,11s,12r,14s,16s,17r,18r)-6,7,17-trihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-5-one
4,5-dihydroxy-6-(hydroxymethyl)-2-(3,4,5-trimethoxyphenoxy)oxan-3-yl 3,4,5-trihydroxybenzoate
C22H26O13 (498.13733460000003)
(1r,2r,6r,7s,8r,10s,11s,12r,14s,16s,17r,18r)-6,7,17-trihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-5-one
(2s,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 5-(3,4-dihydroxyphenyl)-3-hydroxypentanoate
C26H26O10 (498.15258960000006)
[(3r,4s,5r)-5-{[(2r,3s,4r,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl furan-2-carboxylate
C22H26O13 (498.13733460000003)
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methyl (2e)-but-2-enoate
C26H26O10 (498.15258960000006)
(11r,12s,13r,14r)-14-hydroxy-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2,4(8),9,16,21-hexaen-11-yl (2z)-2-methylbut-2-enoate
3-acetyl-4,4a,6,7,12,12a-hexahydroxy-9-methoxy-11-(3-methylbut-2-en-1-yl)-1,12-dihydrotetracene-2,5-dione
C26H26O10 (498.15258960000006)
(1as,1bs,3r,3ar,5s,7br,9r,9ar)-3-(acetyloxy)-5-[(1r)-1-bromo-2-hydroxyethyl]-1a-(hydroxymethyl)-5,7b-dimethyl-1h,1bh,2h,3h,3ah,4h,6h,8h,9h,9ah-cyclopropa[a]phenanthren-9-yl acetate
C24H35BrO6 (498.16168700000003)
(2r)-2-[(2ar,2br,4s,4as,6r,8bs,10s,10ar)-10-(acetyloxy)-2a,4-dihydroxy-6,8b-dimethyl-1h,2h,2bh,3h,4h,4ah,5h,7h,9h,10h,10ah-cyclobuta[a]phenanthren-6-yl]-2-bromoethyl acetate
C24H35BrO6 (498.16168700000003)
n-(6-{12,19-dihydroxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaen-3-yl}-3-hydroxy-2-methyloxan-4-yl)ethanimidic acid
C28H26N4O5 (498.19031060000003)
7-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 4-hydroxy-3-methoxybenzoate
5-[5-hydroxy-2,3-dimethoxy-4-(1,2,3-trihydroxy-3-phenylpropyl)phenoxy]-6-(hydroxymethyl)oxane-2,3,4-triol
7-hydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 4-methoxybenzoate
(1r,2r,2'r,4r,4ar,5s,5's,6r,8as)-5-(carboxymethyl)-5-formyl-5'-(furan-3-yl)-2',4,6-trihydroxy-2,8a-bis(hydroxymethyl)-hexahydrospiro[naphthalene-1,3'-oxolane]-4a-carboxylic acid
(1r,3s,11s,25r)-3,6,27,29-tetrahydroxy-19-oxa-10,12,26,28-tetraazaheptacyclo[23.2.2.2²⁰,²³.1¹⁰,¹⁴.0³,¹¹.0⁴,⁹.0¹³,¹⁸]dotriaconta-4,6,8,13(18),14,16,20,22,26,28,30-undecaen-32-one
2-(acetyloxy)-8-chloro-3,12-dihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadec-10-en-17-yl acetate
C24H31ClO9 (498.16565060000005)
(1s,2r,3r,4r,7r,8s,10z,12r,13s,14r,16s,17r,18r)-2-(acetyloxy)-8-chloro-3,12-dihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadec-10-en-17-yl acetate
C24H31ClO9 (498.16565060000005)
(10z)-2-(acetyloxy)-8-chloro-3,12-dihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadec-10-en-17-yl acetate
C24H31ClO9 (498.16565060000005)
(2r,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl (3r)-5-(3,4-dihydroxyphenyl)-3-hydroxypentanoate
C26H26O10 (498.15258960000006)
14-hydroxy-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2,4(8),9,16,21-hexaen-11-yl 2-methylbut-2-enoate
(3s,4ar,10as)-3-chloro-10a-{[(1s,3s,6s)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl}-6,8-dihydroxy-2,2-dimethyl-3h,4h,4ah-naphtho[2,3-b]pyran-5,10-dione
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(4r)-4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carbonyloxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
(11s,12s,13r,14s)-14-hydroxy-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2,4(8),9,16,21-hexaen-11-yl (2z)-2-methylbut-2-enoate
[(2r,3s,4s,5r)-6-{[(1s,4ar,5s,6r,7s,7ar)-5,6-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
10-(3,4-dihydroxyphenyl)-9-(4-hydroxy-2-methoxyphenyl)-7-methyl-8,9,9a,10-tetrahydro-5bh-1,11-dioxatetraphen-2-one
(2r)-2-[(1as,1bs,3r,3ar,5s,7br,9r,9ar)-9-(acetyloxy)-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1h,1bh,2h,3h,3ah,4h,6h,8h,9h,9ah-cyclopropa[a]phenanthren-5-yl]-2-bromoethyl acetate
C24H35BrO6 (498.16168700000003)
(5bs,9r,9as,10s)-10-(3,4-dihydroxyphenyl)-9-(4-hydroxy-2-methoxyphenyl)-7-methyl-8,9,9a,10-tetrahydro-5bh-1,11-dioxatetraphen-2-one
(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(2,4,5-trihydroxyphenyl)ethoxy]oxan-3-yl 2-(2,4,5-trihydroxyphenyl)acetate
C22H26O13 (498.13733460000003)
(5br,9r,9as,10s)-10-(3,4-dihydroxyphenyl)-9-(4-hydroxy-2-methoxyphenyl)-7-methyl-8,9,9a,10-tetrahydro-5bh-1,11-dioxatetraphen-2-one
(5-hydroxy-3-methoxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,3h,4h,4ah,5h,7ah-cyclopenta[c]pyran-7-yl)methyl 4-hydroxybenzoate
(1s,3s,4r,7r,8s,9r,11s,14s,26s)-4,9-dihydroxy-4,9,11,19,19-pentamethyl-2,6,18,25-tetraoxaheptacyclo[12.10.1.1¹,⁸.0³,⁷.0¹⁴,²³.0¹⁶,²⁰.0¹¹,²⁶]hexacosa-16,20,22-triene-5,10,24-trione
[3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
C22H26O13 (498.13733460000003)
(11s,12r,13s,14s)-14-hydroxy-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2,4(8),9,16,21-hexaen-11-yl (2e)-2-methylbut-2-enoate
(3r,11s,11as)-2-acetyl-3-benzoyl-11-(7-methoxy-2h-1,3-benzodioxol-5-yl)-1h,3h,4h,11h,11ah-pyrazino[1,2-b]isoquinolin-6-one
(1s,4as,5r,7s,7as)-7-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 4-hydroxy-3-methoxybenzoate
(5bs,9r,9as,10s)-9-(3,4-dihydroxyphenyl)-10-(4-hydroxy-2-methoxyphenyl)-7-methyl-8,9,9a,10-tetrahydro-5bh-1,11-dioxatetraphen-2-one
(4as,5s,12as)-2-acetyl-3,4a,5,10,11,12a-hexahydroxy-8-methoxy-6-(3-methylbut-2-en-1-yl)-4,5-dihydrotetracene-1,12-dione
C26H26O10 (498.15258960000006)
(3r)-3-hydroxy-8-methoxy-3-methyl-6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2,4-dihydrotetraphene-1,7,12-trione
C26H26O10 (498.15258960000006)
10-(acetyloxy)-14-chloro-2-hydroxy-4,9,18-trimethyl-13-methylidene-17-oxo-5,16,19-trioxapentacyclo[10.6.1.0¹,¹⁵.0³,⁹.0⁴,⁶]nonadecan-8-yl acetate
C24H31ClO9 (498.16565060000005)
(1s,2r,3s,4s,7s,8e,10z,12s,13s,14r,16s,17r,18r)-2-(acetyloxy)-9-(chloromethyl)-3,12-dihydroxy-4,13,18-trimethyl-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadeca-8,10-dien-17-yl acetate
C24H31ClO9 (498.16565060000005)
12-hydroxy-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2,4(8),9,16,21-hexaen-11-yl 2-methylbut-2-enoate
[(1s,3r,4ar,5s,7as)-5-hydroxy-3-methoxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,3h,4h,4ah,5h,7ah-cyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]pyrano[2,3-h]chromen-4-one
C26H26O10 (498.15258960000006)
methyl (2z)-3-[(1r,2r,4s,7s,8s,11r,12s,16r)-7-(furan-3-yl)-1,8,15,15-tetramethyl-5,17,18-trioxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate
n-(6-{7,12-dihydroxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaen-3-yl}-3-hydroxy-2-methyloxan-4-yl)ethanimidic acid
C28H26N4O5 (498.19031060000003)
(1s,4ar,5r,7s,7as)-7-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 4-hydroxy-3-methoxybenzoate
[(2r,3s,4s,5r,6s)-6-{[(1s,4ar,5r,7s,7as)-5,7-dihydroxy-7-methyl-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
6,7,17-trihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-5-one
(2r)-2-[(1ar,1bs,3r,3ar,5r,7br,9r,9ar)-9-(acetyloxy)-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1h,1bh,2h,3h,3ah,4h,6h,8h,9h,9ah-cyclopropa[a]phenanthren-5-yl]-2-bromoethyl acetate
C24H35BrO6 (498.16168700000003)
3,4-dihydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-{[(4r)-4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carbonyloxy]methyl}oxan-2-yl]oxy}benzoic acid
(2s,3r,4s,5s,6r)-2-(4-{4-[(1e)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-2-hydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
C26H26O10 (498.15258960000006)
2,2',2',9,13-pentamethyl-6,16-dimethylidene-6',11,15-trioxo-10,14,17-trioxaspiro[pentacyclo[7.6.1.1⁷,¹².0¹,¹².0²,⁷]heptadecane-5,3'-pyran]-8-yl acetate
(1s,4ar,5r,7s,7as)-7-hydroxy-7-(hydroxymethyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 4-methoxybenzoate
(11r,12r,13r)-12-hydroxy-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2,4(8),9,16,21-hexaen-11-yl (2e)-2-methylbut-2-enoate
(1s)-15-hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.0¹,¹⁶.0⁴,²¹.0⁵,⁹]henicosa-4(21),5(9),10,16,18-pentaen-12-yl 2-methylbut-2-enoate
[6-(2,4-dihydroxy-6-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
C22H26O13 (498.13733460000003)
(3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methyl but-2-enoate
C26H26O10 (498.15258960000006)
(1s,2r,3r,4r,7r,8s,10e,12s,13s,14r,16s,17r,18r)-2-(acetyloxy)-8-chloro-3,12-dihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadec-10-en-17-yl acetate
C24H31ClO9 (498.16565060000005)
(1s,2s,4s,5s,6s,10s)-2-(hydroxymethyl)-10-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 3,4-dihydroxybenzoate
C22H26O13 (498.13733460000003)