| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:53:32 UTC |
|---|
| Update Date | 2025-03-21 18:03:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00047059 |
|---|
| Frequency | 70.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H11NO2 |
|---|
| Molecular Mass | 165.079 |
|---|
| SMILES | CC(N)c1ccc(C(=O)O)cc1 |
|---|
| InChI Key | NDMBVGSUFFPAFE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzoyl derivativescarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
|---|
| Substituents | carboxylic acidbenzoylcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundbenzoic acidorganooxygen compound |
|---|
