| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:39:21 UTC |
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| Update Date | 2025-03-21 17:58:22 UTC |
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| HMDB ID | HMDB0041638 |
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| Metabolite Identification |
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| DeepMet ID | DMID00013959 |
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| Name | (-)-Epigallocatechin 3'-glucuronide |
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| Frequency | 317.8 |
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| Structure | |
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| Chemical Formula | C21H22O13 |
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| Molecular Mass | 482.106 |
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| SMILES | O=C(O)C1OC(Oc2cc(C3Oc4cc(O)cc(O)c4CC3O)cc(O)c2O)C(O)C(O)C1O |
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| InChI Key | CQDATFYRGVZXLF-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 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'-hydroxyflavonoids3-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsacetalsalkyl aryl ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsepigallocatechinsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidcarboxylic acid1-benzopyrano-glucuronidemonosaccharidepyran carboxylic acidflavonoid-3p-o-glucuronide1-o-glucuronidebeta-hydroxy acidsaccharideacetalcatechinoxaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyran5-hydroxyflavonoid7-hydroxyflavonoidphenolhydrocarbon derivativephenoxy compoundepigallocatechincarbonyl groupetherglucuronic acid or derivativesflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundchromanepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcohol4'-hydroxyflavonoidbenzenoidorganooxygen compound |
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