| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:34:00 UTC |
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| Update Date | 2025-03-21 17:56:27 UTC |
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| HMDB ID | HMDB0041674 |
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| Metabolite Identification |
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| DeepMet ID | DMID00001478 |
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| Name | 4'-O-Methyl-(-)-epicatechin 3'-O-glucuronide |
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| Frequency | 4015.1 |
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| Structure | |
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| Chemical Formula | C22H24O12 |
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| Molecular Mass | 480.1268 |
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| SMILES | COc1ccc(C2Oc3cc(O)cc(O)c3CC2O)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | PSOMCIRLFFROES-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-hydroxyflavonoids4'-o-methylated flavonoids5-hydroxyflavonoids7-hydroxyflavonoidsacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscatechinsglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy 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-hydroxyflavonoidmethoxybenzeneanisole7-hydroxyflavonoid4p-methoxyflavonoid-skeletonhydrocarbon derivativephenoxy compoundcarbonyl groupetherglucuronic acid or derivativesflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundchromanepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholbenzenoidorganooxygen compound |
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