| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:00:33 UTC |
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| Update Date | 2025-03-21 18:06:29 UTC |
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| HMDB ID | HMDB0129982 |
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| Metabolite Identification |
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| DeepMet ID | DMID00063435 |
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| Name | 3,4,5-trihydroxy-6-{[2-(4-methoxyphenyl)propanoyl]oxy}oxane-2-carboxylic acid |
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| Frequency | 48.7 |
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| Structure | |
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| Chemical Formula | C16H20O9 |
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| Molecular Mass | 356.1107 |
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| SMILES | COc1ccc(C(C)C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | MZUCFHAKGVFBCL-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 ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzeneoxacyclepyrananisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compound |
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