| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:40:17 UTC |
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| Update Date | 2025-03-21 17:58:40 UTC |
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| HMDB ID | HMDB0125319 |
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| Metabolite Identification |
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| DeepMet ID | DMID00016025 |
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| Name | 3,4,5-trihydroxy-6-(2,4,6-trihydroxyphenoxy)oxane-2-carboxylic acid |
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| Frequency | 268.8 |
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| Structure | |
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| Chemical Formula | C12H14O10 |
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| Molecular Mass | 318.0587 |
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| SMILES | O=C(O)C1OC(Oc2c(O)cc(O)cc2O)C(O)C(O)C1O |
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| InChI Key | QVWALKDQMMWTAU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4-alkoxyphenolsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphloroglucinols and derivativespyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidephloroglucinol derivativebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcohol4-alkoxyphenolpyran carboxylic acid or derivativesbenzenetriolhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compound |
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