| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:03:09 UTC |
|---|
| Update Date | 2025-03-25 00:54:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02208478 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H17ClO5 |
|---|
| Molecular Mass | 348.0765 |
|---|
| SMILES | CC(C)(C(=O)O)c1ccc(COc2ccc(Cl)cc2C(=O)O)cc1 |
|---|
| InChI Key | BYHSQDSMEMDZJT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | 3-halobenzoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersaryl chloridesbenzoic acidsbenzoyl derivativescarbonyl compoundschlorobenzenesdicarboxylic acids and derivativeshalobenzoic acidshydrocarbon derivativesorganic oxidesorganochloridesphenol ethersphenoxy compoundsphenylpropanes |
|---|
| Substituents | phenol ethercarbonyl groupethercarboxylic acidorganochloridebenzoylalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundphenylpropaneorganic oxide3-halobenzoic acid1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzenehalobenzoic acidaryl halidearomatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
|---|
