| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:48 UTC |
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| Update Date | 2025-03-25 00:47:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161972 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO10 |
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| Molecular Mass | 383.0852 |
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| SMILES | O=C(O)C1OC(Oc2ccc(N3C(=O)CC(O)C3=O)cc2)C(O)C(O)C1O |
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| InChI Key | VKZLJFOPGXLJOP-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 derivativescarbonyl compoundscarboxylic acidsdicarboximidesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-substituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylpyrrolidinespyran carboxylic acidspyrrolespyrrolidine-2-onessecondary alcohols |
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| Substituents | 2-pyrrolidonephenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acid1-phenylpyrrolidinearomatic heteromonocyclic compoundo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compounddicarboximideoxanepyrrolidinecarboxylic acid imide, n-substitutedpyrrolidoneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacyclehydroxy acidcarboxylic acid imideoxacyclemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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