| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:34 UTC |
|---|
| Update Date | 2025-03-25 00:53:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02202533 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H13ClN2O8 |
|---|
| Molecular Mass | 336.036 |
|---|
| SMILES | O=C(O)c1cc(=O)[nH]c(=O)n1C1OC(CO)C(O)C(O)C1Cl |
|---|
| InChI Key | PGUCCLULJYWLBO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | diazines |
|---|
| Subclass | pyrimidines and pyrimidine derivatives |
|---|
| Direct Parent | pyrimidinecarboxylic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl chloridesazacyclic compoundscarboxylic acidschlorohydrinsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrimidonessecondary alcoholsvinylogous amides |
|---|
| Substituents | lactamcarboxylic acidchlorohydrinaromatic heteromonocyclic compoundalkyl chlorideorganochloridemonosaccharidepyrimidonecarboxylic acid derivativeorganohalogen compoundsaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halideoxaneprimary alcoholpyrimidine-6-carboxylic acidalcoholvinylogous amidecarbonic acid derivativeazacyclehalohydrinheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
