| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:03:10 UTC |
|---|
| Update Date | 2025-03-21 18:07:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00069751 |
|---|
| Frequency | 81.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H16N2O6 |
|---|
| Molecular Mass | 320.1008 |
|---|
| SMILES | O=C(O)CC(N=C(O)C(O)Cc1c[nH]c2ccccc12)C(=O)O |
|---|
| InChI Key | GKUNJYPAHRSGPS-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 | aspartic acid and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolessecondary alcohols |
|---|
| Substituents | carboximidic acidcarbonyl groupcarboxylic acidindolepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundindole or derivativesorganic 1,3-dipolar compoundorganic oxygen compoundpyrroleaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
