| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:09 UTC |
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| Update Date | 2025-03-21 18:02:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041254 |
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| Frequency | 83.4 |
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| Structure | |
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| Chemical Formula | C17H20O9 |
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| Molecular Mass | 368.1107 |
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| SMILES | O=C(CCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O)Cc1ccccc1 |
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| InChI Key | CNCOCYBAFCTUNR-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 | acetalsbenzene and substituted derivativesbeta hydroxy acids and derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersgamma-keto acids and derivativesglucuronic acid derivativeshydrocarbon derivativesketonesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidgamma-keto acidoxacyclefatty acid esterpyranketo acidcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoid |
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