| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:44 UTC |
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| Update Date | 2025-03-21 18:36:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112148 |
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| Frequency | 23.7 |
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| Structure | |
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| Chemical Formula | C14H19NO4 |
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| Molecular Mass | 265.1314 |
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| SMILES | CC(C(=O)O)c1ccc(CCCC(N)C(=O)O)cc1 |
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| InChI Key | ITKCIYGTETUECC-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino fatty acidsaromatic monoterpenoidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocyclic monoterpenoidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acids |
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| Substituents | fatty acylcarbocyclic fatty acidmonoterpenoidcarbonyl groupmonocyclic monoterpenoidcarboxylic acidfatty acidalpha-amino acid or derivativesp-cymenecarboxylic acid derivativeorganic oxidephenylbutylamine2-phenylpropanoic-acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidamino fatty acidaromatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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