| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:03:38 UTC |
|---|
| Update Date | 2025-03-25 00:54:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02209636 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14N2O4 |
|---|
| Molecular Mass | 250.0954 |
|---|
| SMILES | CC(NC(=O)C1Cc2ccc(O)cc2N1)C(=O)O |
|---|
| InChI Key | ZCFWOZDPCHSLEV-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 | dipeptides |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalanine and derivativesalpha amino acid amidesalpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesindolecarboxylic acids and derivativesindolesindolinesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary alkylarylaminessecondary carboxylic acid amides |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidindole1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddihydroindoleorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesindolecarboxylic acid derivativealpha-amino acid amideazacyclen-acyl-alpha-amino acidindole or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic aminealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundalanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
