| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:41 UTC |
|---|
| Update Date | 2025-03-25 00:46:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02155093 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16O4 |
|---|
| Molecular Mass | 236.1049 |
|---|
| SMILES | Cc1ccc(C)c(C(=O)O)c1CCCC(=O)O |
|---|
| InChI Key | ABGLPQSXFWGCRB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesp-xylenes |
|---|
| Substituents | carbonyl groupcarboxylic acidbenzoylcarboxylic acid derivativearomatic homomonocyclic compoundxyleneorganic oxidep-xyleneorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
|---|
