| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:03:17 UTC |
|---|
| Update Date | 2025-03-21 18:28:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00070032 |
|---|
| Frequency | 43.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H7ClO4 |
|---|
| Molecular Mass | 214.0033 |
|---|
| SMILES | CC(=O)Oc1ccc(Cl)cc1C(=O)O |
|---|
| InChI Key | CNWHHQWYXIPHGY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | acylsalicylic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds3-halobenzoic acidsaryl chloridesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterschlorobenzenesdicarboxylic acids and derivativeshalobenzoic acidshydrocarbon derivativesorganic oxidesorganochloridesphenol estersphenoxy compounds |
|---|
| Substituents | acylsalicylic acidcarbonyl groupcarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acid1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzenehalobenzoic acidhalobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativeshydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
|---|
