| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:15 UTC |
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| Update Date | 2025-03-25 00:51:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185901 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15NO4 |
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| Molecular Mass | 261.1001 |
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| SMILES | O=C(CCN1C(=O)CCC1C(=O)O)c1ccccc1 |
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| InChI Key | RNXWHRKQPIIAKR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl-phenylketonesalpha amino acidsaryl alkyl ketonesazacyclic compoundsbenzoyl derivativescarboxylic acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxoprolinespyrrolidine carboxylic acidspyrrolidine-2-onestertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundbenzoylketoneorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundproline or derivativesoxoprolineazacyclen-alkylpyrrolidinecarboxamide groupphenylketonemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
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