| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:34 UTC |
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| Update Date | 2025-03-25 00:56:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221173 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H30O19 |
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| Molecular Mass | 658.1381 |
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| SMILES | O=C(O)C1OC(Oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)c3c(c2)OC(c2c(O)cc(O)cc2O)C(O)C3)C(O)C(O)C1O |
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| InChI Key | JPMZNQFGVXRBBX-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-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3-hydroxyflavonoids4'-hydroxyflavonoidsacetalsalkyl aryl ethersbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesflavan-3-olsflavonoid-7-o-glycosidesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphloroglucinols and derivativespyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidcarboxylic acid1-benzopyrano-glucuronidemonosaccharidepyran carboxylic acid1-o-glucuronidephloroglucinol derivativebeta-hydroxy acidsaccharideacetaloxaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyranbenzenetrioldicarboxylic acid or derivativesphenolhydrocarbon derivativecarbonyl groupetherglucuronic acid or derivativesflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundchromaneflavonoid-7-o-glycosidepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundpyranflavonoid-7-o-glucuronidesecondary alcohol4'-hydroxyflavonoidbenzenoidorganooxygen compound |
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