Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:27 UTC |
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Update Date | 2025-03-21 18:35:07 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00104083 |
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Frequency | 26.1 |
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Structure | |
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Chemical Formula | C17H21NO8 |
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Molecular Mass | 367.1267 |
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SMILES | CN1C(=O)CCC1c1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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InChI Key | IOLYMWHBKVCMPI-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 derivativesmonosaccharidesn-alkylpyrrolidinesorganic 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 acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaltertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundoxanepyrrolidinepyrrolidoneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacyclen-alkylpyrrolidine2-phenylpyrrolidinehydroxy acidcarboxamide groupoxacyclemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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