| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:47:00 UTC |
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| Update Date | 2025-03-21 18:01:09 UTC |
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| HMDB ID | HMDB0126574 |
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| Metabolite Identification |
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| DeepMet ID | DMID00031331 |
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| Name | 6-{[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| Frequency | 117.7 |
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| Structure | |
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| Chemical Formula | C22H20O13 |
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| Molecular Mass | 492.0904 |
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| SMILES | COc1cc(-c2oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc(O)c3c(=O)c2O)ccc1O |
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| InChI Key | BFNMTBBQGPCZCH-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'-o-methylated flavonoids3-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoidsacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonesflavonoid-7-o-glycosidesflavonoidsflavonolsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidspyranones and derivativessecondary alcoholsvinylogous acids |
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| Substituents | 3-hydroxyflavonephenol ethermonocyclic benzene moiety3-hydroxyflavonoidcarboxylic acid1-benzopyrano-glucuronidemethoxyphenolmonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideacetalchromoneoxaneorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compound5-hydroxyflavonoidmethoxybenzenevinylogous acidanisolephenolhydrocarbon derivativephenoxy compoundcarbonyl groupetherglucuronic acid or derivatives1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundpyranoneflavonoid-7-o-glycosidepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoid3p-methoxyflavonoid-skeletonoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranflavonoid-7-o-glucuronidesecondary alcohol4'-hydroxyflavonoidbenzenoidorganooxygen compound |
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