| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:23 UTC |
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| Update Date | 2025-03-21 18:04:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049057 |
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| Frequency | 67.4 |
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| Structure | |
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| Chemical Formula | C13H13NO4 |
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| Molecular Mass | 247.0845 |
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| SMILES | O=C(O)C(Cc1ccccc1)N1C(=O)CCC1=O |
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| InChI Key | DDXLPPHPGAWXPI-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 derivativescarbonyl compoundscarboxylic acidsdicarboximideshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesn-substituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspyrrolidine-2-ones |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximidepyrrolidinecarboxylic acid imide, n-substitutedpyrrolidoneorganoheterocyclic compoundamphetamine or derivativesazacyclen-alkylpyrrolidinecarboxylic acid imidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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