| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:29 UTC |
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| Update Date | 2025-03-25 00:48:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168134 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO4 |
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| Molecular Mass | 263.1158 |
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| SMILES | CC(Cc1ccc(O)cc1)N1C(=O)CCC1C(=O)O |
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| InChI Key | BQBXQTCWKRBXOF-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 | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxoprolinesphenylpropanespyrrolidine carboxylic acidspyrrolidine-2-onestertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidphenylpropaneorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundamphetamine or derivativesproline or derivativesoxoprolineazacyclen-alkylpyrrolidinecarboxamide groupmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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