| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:16 UTC |
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| Update Date | 2025-03-21 17:57:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00009095 |
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| Frequency | 533.4 |
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| Structure | |
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| Chemical Formula | C28H32O18 |
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| Molecular Mass | 656.1589 |
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| SMILES | COc1ccc(C2Oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc(O)c3CC2O)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | UBDNOYBIOQCGQR-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-hydroxyflavonoids4'-o-methylated flavonoids5-hydroxyflavonoidsacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscatechinsdicarboxylic acids and derivativesflavonoid-7-o-glycosidesglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidcarboxylic acid1-benzopyrano-glucuronidemonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideacetalcatechinoxaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyran5-hydroxyflavonoidmethoxybenzeneanisoledicarboxylic acid or derivatives4p-methoxyflavonoid-skeletonhydrocarbon derivativephenoxy compoundcarbonyl 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 benzenoidoxacycleorganic oxygen compoundpyranflavonoid-7-o-glucuronidesecondary alcoholbenzenoidorganooxygen compound |
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