| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:29:55 UTC |
|---|
| Update Date | 2025-03-21 18:41:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00133904 |
|---|
| Frequency | 18.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H21NO4 |
|---|
| Molecular Mass | 279.1471 |
|---|
| SMILES | CCCCC(O)=NC(Cc1ccc(OC)cc1)C(=O)O |
|---|
| InChI Key | ICJFPNKIXGMSLZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | phenylalanine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersalpha amino acidsanisolescarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | phenol ethercarboximidic acidmonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalkyl aryl etherpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesmethoxylated amphetamineorganic 1,3-dipolar compoundmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
