| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:06:16 UTC |
|---|
| Update Date | 2025-03-21 18:29:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00077186 |
|---|
| Frequency | 38.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H13ClO2 |
|---|
| Molecular Mass | 212.0604 |
|---|
| SMILES | OC1(c2ccc(Cl)cc2)CCOCC1 |
|---|
| InChI Key | IIHLHMAEWHNWIL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | halobenzenes |
|---|
| Direct Parent | chlorobenzenes |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aryl chloridesdialkyl ethershydrocarbon derivativesorganochloridesoxacyclic compoundsoxanestertiary alcohols |
|---|
| Substituents | aryl chloridechlorobenzenealcoholetheraromatic heteromonocyclic compoundorganochlorideorganohalogen compounddialkyl etheraryl halideoxacycletertiary alcoholorganic oxygen compoundhydrocarbon derivativeoxaneorganoheterocyclic compoundorganooxygen compound |
|---|
