| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:41:18 UTC |
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| Update Date | 2025-03-21 17:59:00 UTC |
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| HMDB ID | HMDB0128089 |
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| Metabolite Identification |
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| DeepMet ID | DMID00018209 |
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| Name | 3,4,5-trihydroxy-6-[(5-hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]oxane-2-carboxylic acid |
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| Frequency | 228.2 |
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| Structure | |
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| Chemical Formula | C21H20O10 |
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| Molecular Mass | 432.1056 |
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| SMILES | O=C1CC(c2ccccc2)Oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc(O)c21 |
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| InChI Key | KPYVXBCXFKYWPU-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 benzenoids5-hydroxyflavonoidsacetalsalkyl aryl ethersaryl alkyl ketonesbenzene and substituted derivativesbeta hydroxy acids and derivativescarboxylic acidschromonesflavanonesflavonoid-7-o-glycosidesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcoholsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaryl alkyl ketoneglucuronic acid or derivatives1-benzopyranflavanoneflavano-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalchromonearomatic heteropolycyclic compoundchromaneoxaneorganoheterocyclic compoundflavonoid-7-o-glycosidealcoholbenzopyranpyran carboxylic acid or derivatives5-hydroxyflavonoidhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundpyranflavonoid-7-o-glucuronidesecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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