| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:06 UTC |
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| Update Date | 2025-03-25 00:57:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222426 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16O11 |
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| Molecular Mass | 372.0693 |
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| SMILES | O=CCC(=O)c1c(O)cc(O)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | NHFDNXXAHCFHRN-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl-phenylketonesalpha-hydrogen aldehydesaryl alkyl ketonesbenzoyl derivativesbeta hydroxy acids and derivativescarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidsresorcinolssecondary alcoholsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidresorcinolketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesaldehydehydroxy acid1-hydroxy-4-unsubstituted benzenoidphenylketoneoxacyclevinylogous acidmonocarboxylic acid or derivativesalpha-hydrogen aldehydepyransecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketonearyl ketone |
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