| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:52 UTC |
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| Update Date | 2025-03-25 00:58:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230700 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N2O4 |
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| Molecular Mass | 266.1267 |
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| SMILES | CN(CCCC(N)C(=O)O)c1ccc(C(=O)O)cc1 |
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| InChI Key | UIWUEGRWKNAZCN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | aminobenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaniline and substituted anilinesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidbenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidetertiary aliphatic/aromatic amineorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzoic aciddialkylarylamineaminobenzoic acid or derivativestertiary amineaniline or substituted anilinesaromatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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