| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:54:39 UTC |
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| Update Date | 2025-03-21 18:04:17 UTC |
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| HMDB ID | HMDB0125231 |
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| Metabolite Identification |
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| DeepMet ID | DMID00049677 |
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| Name | 6-[2,3-dihydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| Frequency | 66.4 |
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| Structure | |
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| Chemical Formula | C21H18O14 |
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| Molecular Mass | 494.0697 |
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| SMILES | O=C(O)C1OC(Oc2cc(-c3oc4cc(O)cc(O)c4c(=O)c3O)cc(O)c2O)C(O)C(O)C1O |
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| InChI Key | DWOOESWQJNDXJA-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'-hydroxyflavonoids3-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonesflavonoidsflavonolsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidspyranones and derivativessecondary alcoholsvinylogous acids |
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| Substituents | 3-hydroxyflavonephenol ethermonocyclic benzene moiety3-hydroxyflavonoidcarboxylic acid1-benzopyrano-glucuronidemonosaccharidepyran carboxylic acidflavonoid-3p-o-glucuronide1-o-glucuronidebeta-hydroxy acidsaccharideacetalchromoneoxaneorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compound5-hydroxyflavonoidvinylogous acid7-hydroxyflavonoidphenolhydrocarbon derivativephenoxy compoundcarbonyl groupglucuronic acid or derivatives1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundpyranonepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcohol4'-hydroxyflavonoidbenzenoidorganooxygen compound |
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