| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:58:37 UTC |
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| Update Date | 2025-03-21 18:05:46 UTC |
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| HMDB ID | HMDB0127978 |
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| Metabolite Identification |
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| DeepMet ID | DMID00058883 |
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| Name | 3,4,5-trihydroxy-6-{[3-(3-methoxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylic acid |
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| Frequency | 53.5 |
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| Structure | |
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| Chemical Formula | C16H18O9 |
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| Molecular Mass | 354.0951 |
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| SMILES | COc1cccc(C=CC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)c1 |
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| InChI Key | CSDQFPPXMKDMDN-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 acidscinnamic acids and derivativesdicarboxylic acids and derivativesenoate estersfatty acid estersglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesbeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundenoate esteralcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzeneoxacyclefatty acid esterpyrananisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compound |
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