| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:03:41 UTC |
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| Update Date | 2025-03-21 18:28:18 UTC |
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| HMDB ID | HMDB0124897 |
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| Metabolite Identification |
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| DeepMet ID | DMID00070987 |
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| Name | 3,4,5-trihydroxy-6-{[5-hydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid |
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| Frequency | 42.3 |
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| Structure | |
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| Chemical Formula | C21H18O13 |
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| Molecular Mass | 478.0747 |
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| SMILES | O=C(O)C1OC(Oc2cc(O)c3c(=O)cc(-c4cc(O)c(O)c(O)c4)oc3c2)C(O)C(O)C1O |
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| InChI Key | VHBFGLQVYCHWSA-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'-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoidsacetalsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonesflavonoid-7-o-glycosidesflavonoidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyranones and derivativespyrogallols and derivativessecondary alcoholsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivatives1-benzopyrano-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalchromonearomatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundflavonoid-7-o-glycosidealcoholbenzopyranpyran carboxylic acid or derivativespyrogallol derivativebenzenetriolheteroaromatic compound5-hydroxyflavonoidhydroxy acid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundpyranflavonoid-7-o-glucuronidesecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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