| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:56:13 UTC |
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| Update Date | 2025-03-21 18:04:51 UTC |
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| HMDB ID | HMDB0126553 |
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| Metabolite Identification |
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| DeepMet ID | DMID00053254 |
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| Name | 3,4,5-trihydroxy-6-(2-methoxybenzoyloxy)oxane-2-carboxylic acid |
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| Frequency | 60.8 |
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| Structure | |
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| Chemical Formula | C14H16O9 |
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| Molecular Mass | 328.0794 |
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| SMILES | COc1ccccc1C(=O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | GFTPTCOHWHIWIW-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 | acetalsalkyl aryl ethersanisolesbenzoic acid estersbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonosaccharideso-methoxybenzoic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundbenzoylo-glucuronidemonosaccharidebenzoate esteralkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalo-methoxybenzoic acid or derivativesoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acidmethoxybenzeneoxacyclepyrananisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compound |
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