| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:37 UTC |
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| Update Date | 2025-03-21 18:38:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119120 |
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| Frequency | 21.9 |
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| Structure | |
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| Chemical Formula | C22H21O11+ |
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| Molecular Mass | 461.1078 |
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| SMILES | COc1ccc(-c2[o+]c3cc(O)cc(O)c3cc2OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | ITBCCPMAUOJYER-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 benzenoids4'-o-methylated flavonoids5-hydroxyflavonoids7-hydroxyflavonoidsacetalsalkyl aryl ethersanisolesanthocyanidin-3-o-glycosidesanthocyanidinsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsflavonoid-3-o-glycosidesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic cationsorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary 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 compoundalcoholbenzopyranheteroaromatic compound5-hydroxyflavonoidmethoxybenzeneanisole7-hydroxyflavonoid4p-methoxyflavonoid-skeletonhydrocarbon derivativephenoxy compoundcarbonyl groupetherglucuronic acid or derivatives1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundanthocyanidinorganic cationpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholbenzenoidanthocyaninorganooxygen compound |
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