| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:09:05 UTC |
|---|
| Update Date | 2025-03-25 00:57:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02222391 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H11ClO5 |
|---|
| Molecular Mass | 210.0295 |
|---|
| SMILES | O=CC1OC(CCl)C(O)C(O)C1O |
|---|
| InChI Key | XSISUYHTWCQNQI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrans |
|---|
| Subclass | pyran carboxylic acids and derivatives |
|---|
| Direct Parent | pyran carboxylic acids |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | aldehydesalkyl chloridesdialkyl ethershydrocarbon derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanespyranssecondary alcohols |
|---|
| Substituents | alcoholcarbonyl groupetherpyran carboxylic acid or derivativesalkyl chlorideorganochloridemonosaccharidealdehydeorganohalogen compounddialkyl etheroxacyclesaccharideorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundsecondary alcoholalkyl halidehydrocarbon derivativeoxaneorganooxygen compound |
|---|
