Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:20 UTC |
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Update Date | 2025-03-21 18:35:34 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00106265 |
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Frequency | 25.4 |
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Structure | |
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Chemical Formula | C15H20O10 |
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Molecular Mass | 360.1056 |
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SMILES | O=C(O)C1OC(Oc2ccc(CC(O)CO)cc2O)C(O)C(O)C1O |
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InChI Key | MKSSQRBFGXUSPE-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 benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsprimary alcoholspyran carboxylic acidssecondary alcohols |
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Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compound |
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