Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:56 UTC |
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Update Date | 2025-03-21 18:35:22 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105290 |
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Frequency | 25.7 |
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Structure | |
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Chemical Formula | C28H28O19 |
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Molecular Mass | 668.1225 |
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SMILES | COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(C(=O)O)O4)cc3O2)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
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InChI Key | BXEICZQXFGWJHD-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 | 1,3-dioxanes1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-o-methylated flavonoids5-hydroxyflavonoidsacetalsalkyl aryl ethersanisolesaryl alkyl ketonesbeta hydroxy acids and derivativescarboxylic acid orthoesterscarboxylic acidschromonesflavanonesglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonosaccharideso-glucuronidesorganic oxidesortho estersoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholstricarboxylic acids and derivativesvinylogous acids |
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Substituents | phenol ethermonocyclic benzene moietycarboxylic acidaryl alkyl ketone1-benzopyranflavanoneo-glucuronidemonosaccharidecarboxylic acid orthoesterpyran carboxylic acidflavonoid-3p-o-glucuronideketone1-o-glucuronidebeta-hydroxy acidsaccharideacetalchromoneorthocarboxylic acid derivativeoxaneorganoheterocyclic compoundalcoholbenzopyran5-hydroxyflavonoidmethoxybenzenevinylogous acidanisole4p-methoxyflavonoid-skeletonhydrocarbon derivativephenoxy compoundmeta-dioxanearyl ketonecarbonyl groupetherglucuronic acid or derivativesortho esterflavan1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundchromanepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundpyransecondary alcoholbenzenoidorganooxygen compound |
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