| 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 | DMID00065996 |
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| Frequency | 46.3 |
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| Structure | |
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| Chemical Formula | C16H19NO8 |
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| Molecular Mass | 353.1111 |
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| SMILES | O=C(O)C1OC(Oc2ccc(N3CCCC3=O)cc2)C(O)C(O)C1O |
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| InChI Key | QYCAIKFEAAABOS-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 acidsglucuronic acid derivativeshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylpyrrolidinespyran carboxylic acidspyrrolespyrrolidine-2-onessecondary alcoholstertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonephenol ethermonocyclic benzene moietycarbonyl grouplactamcarboxylic acid1-phenylpyrrolidinearomatic heteromonocyclic compoundo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-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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