| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:38:49 UTC |
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| Update Date | 2025-03-21 17:58:11 UTC |
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| HMDB ID | HMDB0041705 |
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| Metabolite Identification |
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| DeepMet ID | DMID00012758 |
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| Name | Caffeic acid 3-O-glucuronide |
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| Frequency | 354.5 |
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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(O)C=Cc1ccc(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1 |
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| InChI Key | BSOMSDFTZKNUHY-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 benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativeshydroxycinnamic acidsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidhydroxycinnamic acid or derivatives1-o-glucuronidecinnamic acid or derivativesbeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidhydroxycinnamic acidoxacyclepyransecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compound |
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