| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:57 UTC |
|---|
| Update Date | 2025-03-25 00:54:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02203426 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8N2O6 |
|---|
| Molecular Mass | 228.0382 |
|---|
| SMILES | O=C(O)CC(O)C(=O)c1c[nH]c(=O)[nH]c1=O |
|---|
| InChI Key | INLCSFBOWSMKKS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | gamma-keto acids and derivatives |
|---|
| Direct Parent | gamma-keto acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acyloinsaryl alkyl ketonesazacyclic compoundsbeta hydroxy acids and derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonessecondary alcoholsvinylogous amides |
|---|
| Substituents | carbonyl grouplactamcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundpyrimidonecarboxylic acid derivativepyrimidineketonebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundhydroxy acidgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaryl ketone |
|---|
