| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:35 UTC |
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| Update Date | 2025-03-21 17:57:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00005188 |
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| Frequency | 1041.8 |
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| Structure | |
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| Chemical Formula | C23H24O12 |
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| Molecular Mass | 492.1268 |
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| SMILES | COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3O2)cc1OC |
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| InChI Key | XFYKZZCTMVQZRL-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-o-methylated flavonoids4'-o-methylated flavonoids5-hydroxyflavonoidsacetalsalkyl aryl ethersanisolesaryl alkyl ketonesbeta hydroxy acids and derivativescarboxylic acidschromonesdimethoxybenzenesflavanonesflavonoid-7-o-glycosidesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acidaryl alkyl ketone1-benzopyranflavanoneo-glucuronidemonosaccharidepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideacetalchromoneoxaneorganoheterocyclic compoundalcoholbenzopyran5-hydroxyflavonoidmethoxybenzenevinylogous acidanisole4p-methoxyflavonoid-skeletonhydrocarbon derivativephenoxy compoundaryl ketonecarbonyl groupetherglucuronic acid or derivativesflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativedimethoxybenzeneorganic oxidearomatic heteropolycyclic compoundo-dimethoxybenzenechromaneflavonoid-7-o-glycosidepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoid3p-methoxyflavonoid-skeletonoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranflavonoid-7-o-glucuronidesecondary alcoholbenzenoidorganooxygen compound |
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