| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:38 UTC |
|---|
| Update Date | 2025-03-25 00:59:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02239243 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H8N2O2 |
|---|
| Molecular Mass | 188.0586 |
|---|
| SMILES | N#Cc1ccc2c(c1)CNC2C(=O)O |
|---|
| InChI Key | VLGPIALIJPCZHC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | bicyclic amino acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesisoindolesisoindolinesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganopnictogen compounds |
|---|
| Substituents | bicyclic amino acidcarbonyl groupnitrilecarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideisoindolinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarbonitrileorganoheterocyclic compoundsecondary aliphatic amineazacycleisoindolesecondary aminemonocarboxylic acid or derivativesisoindole or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
|---|
