| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:16:12 UTC |
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| Update Date | 2025-03-21 18:34:28 UTC |
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| HMDB ID | HMDB0125408 |
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| Metabolite Identification |
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| DeepMet ID | DMID00100980 |
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| Name | 3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-2-oxopropanoyl]oxy}oxane-2-carboxylic acid |
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| Frequency | 27.1 |
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| Structure | |
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| Chemical Formula | C15H16O10 |
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| Molecular Mass | 356.0743 |
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| SMILES | O=C(Cc1ccc(O)cc1)C(=O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | QKRHJOUKLLLOIO-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 benzenoidsacetalsalpha-keto acids and derivativesbeta hydroxy acids and derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersglucuronic acid derivativeshydrocarbon derivativesketonesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenylpyruvic acid derivativespyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalalpha-keto acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesphenylpyruvatehydroxy acidoxacyclefatty acid esterpyranketo acidcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid |
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