| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:40:09 UTC |
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| Update Date | 2025-03-21 17:58:38 UTC |
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| HMDB ID | HMDB0125399 |
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| Metabolite Identification |
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| DeepMet ID | DMID00015732 |
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| Name | 6-[(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| Frequency | 274.6 |
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| Structure | |
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| Chemical Formula | C21H18O11 |
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| Molecular Mass | 446.0849 |
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| SMILES | O=C(O)C1OC(Oc2c(-c3ccccc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O |
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| InChI Key | AHSXTKYJDFBHFC-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 benzenoids5-hydroxyflavonoids7-hydroxyflavonoidsacetalsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonesflavonoid-3-o-glycosidesflavonoidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidspyranones and derivativessecondary alcoholsvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivatives1-benzopyrano-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalchromonearomatic heteropolycyclic compoundflavonoid-3-o-glucuronideflavonoid-3-o-glycosidepyranoneoxaneorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivativesheteroaromatic compound5-hydroxyflavonoidhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundpyran7-hydroxyflavonoidsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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