| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:17:19 UTC |
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| Update Date | 2025-03-24 21:34:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01819066 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C39H49NO25 |
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| Molecular Mass | 931.2594 |
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| SMILES | COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3O2)cc1OC1OC(COC2(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O2)C(O)C(O)C1O |
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| InChI Key | PBPVWJRCUJBHPV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | flavonoids |
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| Subclass | flavonoid glycosides |
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| Direct Parent | flavonoid-7-o-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-o-methylated flavonoids5-hydroxyflavonoidsacetamidesalkyl aryl ethersanisolesaryl alkyl ketonesbeta hydroxy acids and derivativesc-glucuronidescarboxylic acidschromonesdicarboxylic acids and derivativesflavanonesflavonoid-7-o-glycosidesglucuronic acid derivativeshydrocarbon derivativesketalsmethoxybenzenesmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acidaryl alkyl ketone1-benzopyranflavanoneo-glucuronidemonosaccharidepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideacetalchromoneketalorganonitrogen compoundoxaneorganoheterocyclic compoundacetamidec-glucuronidealcoholbenzopyran5-hydroxyflavonoidmethoxybenzenesecondary carboxylic acid amidevinylogous acidanisoledicarboxylic acid or derivatives4p-methoxyflavonoid-skeletonhydrocarbon derivativephenoxy compoundaryl ketonecarbonyl groupetherglucuronic acid or derivativesflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganopnictogen compoundchromaneprimary alcoholflavonoid-7-o-glycosidepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxamide groupoxacycleorganic oxygen compoundpyranflavonoid-7-o-glucuronidesecondary alcoholbenzenoidorganic nitrogen compoundorganooxygen compound |
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