| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:44 UTC |
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| Update Date | 2025-03-21 17:59:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00019185 |
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| Frequency | 214.2 |
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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 | COC(=O)C1OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)c(O)c2)C(O)C3)C(O)C(O)C1O |
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| InChI Key | WZYFBLJVAUHDPL-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'-hydroxyflavonoids3-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoidsacetalsalkyl aryl ethersbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscatechinsflavonoid-7-o-glycosidesglucuronic acid derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoid1-benzopyrano-glucuronidemonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharidemethyl esteracetalcatechinoxaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyran5-hydroxyflavonoidcarboxylic acid esterphenolhydrocarbon 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 benzenoid3'-hydroxyflavonoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranflavonoid-7-o-glucuronidesecondary alcohol4'-hydroxyflavonoidbenzenoidorganooxygen compound |
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