| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:57:39 UTC |
|---|
| Update Date | 2025-03-21 18:05:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00056558 |
|---|
| Frequency | 56.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H11NO3 |
|---|
| Molecular Mass | 193.0739 |
|---|
| SMILES | CC(C(=O)O)c1ccc(C(N)=O)cc1 |
|---|
| InChI Key | MUWUEBLDZNJSQR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | phenylpropanoic acids |
|---|
| Subclass | phenylpropanoic acids |
|---|
| Direct Parent | phenylpropanoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aromatic monoterpenoidsbenzamidesbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
|---|
| Substituents | primary carboxylic acid amidemonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidbenzoylp-cymenecarboxylic acid derivativebenzamideorganic oxide2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundbenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
|---|
