| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:28:56 UTC |
|---|
| Update Date | 2025-03-21 18:40:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00131688 |
|---|
| Frequency | 19.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H11NO2 |
|---|
| Molecular Mass | 177.079 |
|---|
| SMILES | C=CCNc1ccc(C(=O)O)cc1 |
|---|
| InChI Key | KAAMYCLKDWDNNY-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 | amino acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminessecondary alkylarylamines |
|---|
| Substituents | carboxylic acidamino acid or derivativesamino acidbenzoylsecondary aminecarboxylic acid derivativesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundbenzoic acidamineorganooxygen compound |
|---|
