| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:41 UTC |
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| Update Date | 2025-03-25 01:02:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253193 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O9 |
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| Molecular Mass | 316.0794 |
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| SMILES | O=C(O)C1OC(Oc2ccccc2O)C(O)C(O)C1(O)CO |
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| InChI Key | FIVDYZWJMUAOMW-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 benzenoidsacetalscarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstertiary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacycletertiary alcoholmonocarboxylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compound |
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