| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:33 UTC |
|---|
| Update Date | 2025-03-25 00:56:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02218813 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H21NO3 |
|---|
| Molecular Mass | 275.1521 |
|---|
| SMILES | Cc1ccc2c(c1)C(C)(CCC(=O)NCC(=O)O)CC2 |
|---|
| InChI Key | RRBDCOMXPJCCLQ-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 | acyl glycines |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsfatty amideshydrocarbon derivativesindanesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidfatty amidearomatic homopolycyclic compoundcarboxamide groupn-acylglycinesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundindaneorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
