| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:22:33 UTC |
|---|
| Update Date | 2025-03-25 01:01:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02252917 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H20N2O7 |
|---|
| Molecular Mass | 364.1271 |
|---|
| SMILES | O=C(O)C(O)CCC(NC(Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O |
|---|
| InChI Key | FGRKQVQTABVRDY-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 | alpha amino acids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesindolesmonosaccharidesorganic oxidesorganopnictogen compoundspyrrolessecondary alcoholstricarboxylic acids and derivatives |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acidindolealpha-hydroxy acidmonosaccharidetricarboxylic acid or derivativessaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholsecondary aliphatic amineazacycleheteroaromatic compoundindole or derivativeshydroxy acidsecondary amineorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
|---|
