| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:41:38 UTC |
|---|
| Update Date | 2025-03-21 17:59:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00018962 |
|---|
| Frequency | 217.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8O5 |
|---|
| Molecular Mass | 196.0372 |
|---|
| SMILES | O=C(O)COc1ccc(C(=O)O)cc1 |
|---|
| InChI Key | LABJFIBQJFPXHZ-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 | alkyl aryl ethersbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic 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 derivativebenzoic acidphenoxy compoundorganooxygen compound |
|---|
