| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:37:31 UTC |
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| Update Date | 2025-03-21 17:57:43 UTC |
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| HMDB ID | HMDB0127505 |
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| Metabolite Identification |
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| DeepMet ID | DMID00009689 |
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| Name | 6-{[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| Frequency | 494.1 |
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| Structure | |
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| Chemical Formula | C22H20O12 |
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| Molecular Mass | 476.0955 |
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| SMILES | COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | FGOHVEYPHSAVIG-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-3-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 benzenoids4'-o-methylated flavonoids5-hydroxyflavonoids7-hydroxyflavonoidsacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonesflavonoid-3-o-glycosidesflavonoidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidspyranones and derivativessecondary alcoholsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acid1-benzopyrano-glucuronidemonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideacetalchromoneflavonoid-3-o-glucuronideflavonoid-3-o-glycosideoxaneorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compound5-hydroxyflavonoidmethoxybenzenevinylogous acidanisole7-hydroxyflavonoid4p-methoxyflavonoid-skeletonhydrocarbon derivativephenoxy compoundcarbonyl groupetherglucuronic acid or derivatives1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundpyranonepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholbenzenoidorganooxygen compound |
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