| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:10:33 UTC |
|---|
| Update Date | 2025-03-21 18:31:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00087368 |
|---|
| Frequency | 32.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H13NO3 |
|---|
| Molecular Mass | 243.0895 |
|---|
| SMILES | NC(CC(=O)c1cccc2ccccc12)C(=O)O |
|---|
| InChI Key | KMCUAKLTHXEYPK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | butyrophenones |
|---|
| Direct Parent | butyrophenones |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsaryl alkyl ketonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesnaphthalenesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketonearomatic homopolycyclic compoundalpha-amino acid or derivativescarboxylic acid derivativegamma-keto acidketonebutyrophenoneorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundketo acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
|---|
