| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:17 UTC |
|---|
| Update Date | 2025-03-21 18:33:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00096293 |
|---|
| Frequency | 28.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12O5 |
|---|
| Molecular Mass | 224.0685 |
|---|
| SMILES | CCC(Oc1ccccc1C(=O)O)C(=O)O |
|---|
| InChI Key | HSKKWUJXAYVDDN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenoxyacetic acid derivatives |
|---|
| Direct Parent | phenoxyacetic acid derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenol ethersphenoxy compounds |
|---|
| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acidbenzoylbenzoic acid or derivativesalkyl aryl ethercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidphenoxy compoundorganooxygen compound |
|---|
