| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:31:15 UTC |
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| Update Date | 2025-03-21 18:41:56 UTC |
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| HMDB ID | HMDB0124881 |
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| Metabolite Identification |
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| DeepMet ID | DMID00136914 |
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| Name | 6-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxy-3-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| Frequency | 18.3 |
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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(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC2OC(C(=O)O)C(O)C(O)C2O)c1O |
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| InChI Key | OUNJUIJZGKYPDK-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'-o-methylated flavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonesflavonoidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidspyranones and derivativessecondary alcoholsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acid1-benzopyrano-glucuronidemethoxyphenolmonosaccharidepyran carboxylic acidflavonoid-3p-o-glucuronide1-o-glucuronidebeta-hydroxy acidsaccharideacetalchromoneoxaneorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compound5-hydroxyflavonoidmethoxybenzenevinylogous acidanisole7-hydroxyflavonoidphenolhydrocarbon 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 benzenoid3p-methoxyflavonoid-skeletonoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcohol4'-hydroxyflavonoidbenzenoidorganooxygen compound |
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