| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:27:16 UTC |
|---|
| Update Date | 2025-03-21 18:39:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00127682 |
|---|
| Frequency | 20.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8N2O5 |
|---|
| Molecular Mass | 212.0433 |
|---|
| SMILES | O=C1OC(c2c[nH]c(=O)[nH]c2=O)CC1O |
|---|
| InChI Key | KVTRBTRJUXPQMU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | diazines |
|---|
| Subclass | pyrimidines and pyrimidine derivatives |
|---|
| Direct Parent | pyrimidones |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acid estersgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofuransvinylogous amides |
|---|
| Substituents | carbonyl grouplactamaromatic heteromonocyclic compoundpyrimidonecarboxylic acid derivativelactoneorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
