| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:55:12 UTC |
|---|
| Update Date | 2025-03-25 00:51:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02190357 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H21NO4 |
|---|
| Molecular Mass | 291.1471 |
|---|
| SMILES | CC(=Cc1ccccc1)C(O)CCCC(O)=NCC(=O)O |
|---|
| InChI Key | DOENATBRXGQMLR-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 | alpha amino acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboximidic acidscarboxylic acidscinnamyl alcoholshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
|---|
| Substituents | alcoholcarboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acidcinnamyl alcoholorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
