| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:27 UTC |
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| Update Date | 2025-03-21 18:00:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030024 |
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| Frequency | 124.0 |
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| Structure | |
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| Chemical Formula | C15H17NO4 |
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| Molecular Mass | 275.1158 |
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| SMILES | CC(=O)C1CCC(=O)N1C(Cc1ccccc1)C(=O)O |
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| InChI Key | PFLFSWCHRLSUFQ-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarboxylic acidshydrocarbon derivativesketoneslactamsmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspyrrolidine-2-onestertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidketoneorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundamphetamine or derivativesazacyclen-alkylpyrrolidinecarboxamide groupmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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