| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:35:47 UTC |
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| Update Date | 2025-03-21 17:57:06 UTC |
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| HMDB ID | HMDB0125175 |
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| Metabolite Identification |
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| DeepMet ID | DMID00005652 |
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| Name | 3,4,5-trihydroxy-6-(4-hydroxybenzoyloxy)oxane-2-carboxylic acid |
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| Frequency | 936.9 |
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| Structure | |
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| Chemical Formula | C13H14O9 |
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| Molecular Mass | 314.0638 |
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| SMILES | O=C(OC1OC(C(=O)O)C(O)C(O)C1O)c1ccc(O)cc1 |
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| InChI Key | UDDPEWPRKBWBMA-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 benzenoidsacetalsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholsp-hydroxybenzoic acid alkyl esters |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundp-hydroxybenzoic acid esterbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidebenzoate estercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acidp-hydroxybenzoic acid alkyl esteroxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid |
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