| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:19 UTC |
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| Update Date | 2025-03-25 00:50:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183769 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H24N2O4 |
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| Molecular Mass | 332.1736 |
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| SMILES | O=C1CCC(CCCCC(=O)NC(Cc2ccccc2)C(=O)O)N1 |
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| InChI Key | KXFASEINZGVDBQ-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 acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspyrrolidine-2-onessecondary carboxylic acid amides |
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| Substituents | fatty acyl2-pyrrolidonemonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidfatty amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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