| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:58 UTC |
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| Update Date | 2025-03-21 17:59:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00021977 |
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| Frequency | 180.9 |
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| Structure | |
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| Chemical Formula | C13H16O8 |
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| Molecular Mass | 300.0845 |
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| SMILES | O=C(O)C1OC(Oc2ccc(CO)cc2)C(O)C(O)C1O |
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| InChI Key | FLWQJXIDAGIGBN-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 | acetalsaromatic alcoholsbenzyl alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidbenzyl alcoholoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidphenoxy compound |
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