Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:04 UTC |
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Update Date | 2025-03-21 18:35:26 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105606 |
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Frequency | 25.6 |
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Structure | |
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Chemical Formula | C21H19O11+ |
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Molecular Mass | 447.0922 |
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SMILES | O=C(O)C1OC(Oc2cc(O)c3ccc(-c4ccc(O)c(O)c4)[o+]c3c2)C(O)C(O)C1O |
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InChI Key | ZZPFSPHWKMOUIG-UHFFFAOYSA-O |
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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'-hydroxyflavonoids5-hydroxyflavonoidsacetalsanthocyanidinsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsflavonoid-7-o-glycosidesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic cationsorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcohols |
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Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivatives1-benzopyrano-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundanthocyanidinorganic cationoxaneorganoheterocyclic compoundflavonoid-7-o-glycosidealcoholbenzopyranpyran carboxylic acid or derivativesheteroaromatic compound5-hydroxyflavonoidhydroxy acid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranflavonoid-7-o-glucuronidesecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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