| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:41:18 UTC |
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| Update Date | 2025-03-21 17:59:01 UTC |
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| HMDB ID | HMDB0135256 |
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| Metabolite Identification |
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| DeepMet ID | DMID00018197 |
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| Name | 3,4,5-trihydroxy-6-[2-hydroxy-4-(prop-2-en-1-yl)phenoxy]oxane-2-carboxylic acid |
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| Frequency | 228.4 |
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| Structure | |
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| Chemical Formula | C15H18O8 |
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| Molecular Mass | 326.1002 |
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| SMILES | C=CCc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(O)c1 |
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| InChI Key | PTUNZWVRRAZGFN-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 benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran 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-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compound |
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