| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:35:56 UTC |
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| Update Date | 2025-03-21 17:57:09 UTC |
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| HMDB ID | HMDB0128037 |
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| Metabolite Identification |
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| DeepMet ID | DMID00005996 |
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| Name | 3,4,5-trihydroxy-6-(2-hydroxy-6-methoxyphenoxy)oxane-2-carboxylic acid |
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| Frequency | 874.1 |
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| Structure | |
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| Chemical Formula | C13H16O9 |
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| Molecular Mass | 316.0794 |
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| SMILES | COc1cccc(O)c1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | WIRBFTWUCRQZDH-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 benzenoidsacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmethoxyphenolo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclemonocarboxylic acid or derivativespyrananisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compound |
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