| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:21:16 UTC |
|---|
| Update Date | 2025-03-21 18:36:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00113419 |
|---|
| Frequency | 23.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H15NO3 |
|---|
| Molecular Mass | 209.1052 |
|---|
| SMILES | Cc1ccc(C)c(CC(N)C(=O)O)c1O |
|---|
| InChI Key | XODJARVZQSADDW-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 | 1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmeta cresolsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho cresolsphenylpropanoic acidsp-xylenesp-xylenols |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidxyleneorganic oxidexylenolo-cresolorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesm-cresol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesp-xylenephenylalanine or derivativesorganic oxygen compoundp-xylenolphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
