| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:22 UTC |
|---|
| Update Date | 2025-03-25 00:46:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02156610 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H5ClO4 |
|---|
| Molecular Mass | 163.9876 |
|---|
| SMILES | O=C1CC(Cl)C(C(=O)O)O1 |
|---|
| InChI Key | ROYLLPAGSFKSCC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | lactones |
|---|
| Subclass | gamma butyrolactones |
|---|
| Direct Parent | gamma butyrolactones |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl chloridescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganochloridesoxacyclic compoundstetrahydrofurans |
|---|
| Substituents | carbonyl groupcarboxylic acidtetrahydrofuranalkyl chlorideorganochloridecarboxylic acid derivativeorganohalogen compoundgamma butyrolactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativesalkyl halidehydrocarbon derivativeorganooxygen compound |
|---|
