| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:09 UTC |
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| Update Date | 2025-03-25 00:59:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235968 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H21O13+ |
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| Molecular Mass | 493.0977 |
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| SMILES | COc1cc(O)cc2[o+]c(-c3cc(O)c(O)c(O)c3)c(OC3OC(C(=O)O)C(O)C(O)C3O)cc12 |
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| InChI Key | KVTIMEUNRVXPRM-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-3-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-o-methylated flavonoids7-hydroxyflavonoidsacetalsalkyl aryl ethersanisolesanthocyanidin-3-o-glycosidesanthocyanidinsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsflavonoid-3-o-glycosidesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic cationsorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidspyrogallols and derivativessecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acid1-benzopyrano-glucuronidemonosaccharidepyran carboxylic acidanthocyanidin-3-o-glycoside1-o-glucuronidebeta-hydroxy acidsaccharideacetalflavonoid-3-o-glucuronideflavonoid-3-o-glycosideoxaneorganoheterocyclic compoundalcoholbenzopyranpyrogallol derivativebenzenetriolheteroaromatic compoundanisole7-hydroxyflavonoidphenolhydrocarbon derivativecarbonyl groupetherglucuronic acid or derivatives1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compound5-methoxyflavonoid-skeletonanthocyanidinorganic cationpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcohol4'-hydroxyflavonoidbenzenoidanthocyaninorganooxygen compound |
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