| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:40:23 UTC |
|---|
| Update Date | 2025-03-21 17:58:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00016237 |
|---|
| Frequency | 263.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H22N2O4 |
|---|
| Molecular Mass | 318.158 |
|---|
| SMILES | CC(C)CC(NC(Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O |
|---|
| InChI Key | YIZARVNPYQWBRP-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 | leucine and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganopnictogen compoundspyrroles |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acidindoleorganic oxidearomatic heteropolycyclic compoundleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundindole or derivativessecondary amineorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
|---|
