| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:15 UTC |
|---|
| Update Date | 2025-03-25 00:50:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02181398 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H7ClO5 |
|---|
| Molecular Mass | 229.9982 |
|---|
| SMILES | O=C(O)COc1ccc(Cl)c(C(=O)O)c1 |
|---|
| InChI Key | IUVWBGALESQXLB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenoxyacetic acid derivatives |
|---|
| Direct Parent | chlorophenoxyacetates |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halobenzoic acidsalkyl aryl ethersaryl chloridesbenzoic acidsbenzoyl derivativescarbonyl compoundschlorobenzenesdicarboxylic acids and derivativeshalobenzoic acidshydrocarbon derivativesorganic oxidesorganochloridesphenol ethersphenoxy compoundsvinylogous halides |
|---|
| Substituents | phenol ether2-halobenzoic acidcarbonyl groupethercarboxylic acidorganochloridebenzoylalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzenehalobenzoic acidbenzoic acid or derivativeshalobenzoic acid or derivativesvinylogous halide2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundorganic oxygen compoundchlorophenoxyacetatedicarboxylic acid or derivativeshydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
|---|
