| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:24 UTC |
|---|
| Update Date | 2025-03-25 00:46:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02156714 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H16Cl2O3 |
|---|
| Molecular Mass | 350.0476 |
|---|
| SMILES | O=C1CCC(Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)O1 |
|---|
| InChI Key | BJWPLWOWTPLFRG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | halobenzenes |
|---|
| Direct Parent | dichlorobenzenes |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersaryl chloridescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesoxacyclic compoundsphenol ethersphenoxy compoundstetrahydrofurans |
|---|
| Substituents | phenol ethercarbonyl groupetheraromatic heteromonocyclic compoundorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundlactoneorganic oxide1,2-dichlorobenzeneorganoheterocyclic compoundaryl chloridetetrahydrofurangamma butyrolactonearyl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
