| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:15 UTC |
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| Update Date | 2025-03-21 18:04:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048724 |
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| Frequency | 95.7 |
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| Structure | |
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| Chemical Formula | C15H18N2O4 |
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| Molecular Mass | 290.1267 |
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| SMILES | O=C1CCCC(C(=O)NC(Cc2ccccc2)C(=O)O)N1 |
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| InChI Key | XBWGSWXBKUZEDY-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 | dipeptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdelta lactamshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidspiperidinecarboxamidespiperidinonessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinonepiperidineorganoheterocyclic compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidpiperidinecarboxamidecarboxamide groupdelta-lactamalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compound2-piperidinecarboxamideorganooxygen compound |
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