| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:57 UTC |
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| Update Date | 2025-03-21 18:29:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078912 |
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| Frequency | 37.0 |
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| Structure | |
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| Chemical Formula | C28H30O18 |
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| Molecular Mass | 654.1432 |
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| SMILES | COc1ccc(C2CC(=O)c3c(cc(OC4C(O)OC(C(=O)O)C(O)C4O)cc3OC3OC(C(=O)O)C(O)C(O)C3O)O2)cc1O |
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| InChI Key | OKYJTFYVPJWYKR-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 o-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids4'-o-methylated flavonoidsacetalsalkyl aryl ethersanisolesaryl alkyl ketonesbeta hydroxy acids and derivativescarboxylic acidschromonesdicarboxylic acids and derivativesflavanonesglucuronic acid derivativeshemiacetalshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acidaryl alkyl ketone1-benzopyranflavanoneo-glucuronidemethoxyphenolmonosaccharidepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideacetalchromonehemiacetaloxaneorganoheterocyclic compoundalcoholbenzopyranmethoxybenzeneanisoledicarboxylic acid or derivatives4p-methoxyflavonoid-skeletonphenolhydrocarbon derivativephenoxy compoundaryl ketonecarbonyl groupetherglucuronic acid or derivativesflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeflavonoid-5-o-glucuronideorganic oxidearomatic heteropolycyclic compoundchromanepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacycleorganic oxygen compoundpyransecondary alcoholbenzenoidorganooxygen compound |
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