| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:37 UTC |
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| Update Date | 2025-03-21 18:06:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066003 |
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| Frequency | 46.3 |
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| Structure | |
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| Chemical Formula | C13H15NO9 |
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| Molecular Mass | 329.0747 |
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| SMILES | O=C(O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | IMFMREPCYMZFET-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 | acetalsbeta hydroxy acids and derivativescarbamic acidscarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylcarbamic acidspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundcarbamic acidphenylcarbamic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholcarbonic acid derivativepyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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