| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:39 UTC |
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| Update Date | 2025-03-25 00:46:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157236 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO9 |
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| Molecular Mass | 367.0903 |
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| SMILES | O=C1CCN(c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2)C1=O |
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| InChI Key | UZMJWKYHNDNTID-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 | acetalsazacyclic compoundsbeta hydroxy acids and derivativescarboxylic acidscyclic ketonesglucuronic acid derivativeshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylpyrrolidinespyran carboxylic acidspyrrolespyrrolidine-2-onespyrrolidine-3-onessecondary alcoholstertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonephenol ethermonocyclic benzene moietycarbonyl grouplactamcarboxylic acid1-phenylpyrrolidinearomatic heteromonocyclic compound3-pyrrolidoneo-glucuronidemonosaccharidecyclic ketonecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetaltertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundoxanepyrrolidinepyrrolidoneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacyclehydroxy acidcarboxamide groupoxacyclemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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