| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:31 UTC |
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| Update Date | 2025-03-21 18:28:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072995 |
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| Frequency | 40.9 |
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| Structure | |
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| Chemical Formula | C16H20N2O5 |
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| Molecular Mass | 320.1372 |
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| SMILES | O=C(O)CCC(NC(=O)c1ccc(N2CCCC2)cc1)C(=O)O |
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| InChI Key | VJECJTQBSINBQL-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaminobenzamidesaniline and substituted anilinesazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylpyrrolidinespyrrolessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-phenylpyrrolidinearomatic heteromonocyclic compoundamino acidbenzoylbenzamideorganic oxidetertiary aliphatic/aromatic amineorganonitrogen compoundalpha-amino acidorganopnictogen compounddialkylarylaminepyrrolidineaminobenzoic acid or derivativestertiary amineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidhippuric acid or derivativesaniline or substituted anilinesbenzoic acid or derivativesglutamic acid or derivativescarboxamide groupaminobenzamidesecondary carboxylic acid amideorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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