| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:48 UTC |
|---|
| Update Date | 2025-03-25 00:50:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02178106 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12O7 |
|---|
| Molecular Mass | 268.0583 |
|---|
| SMILES | COC(=O)c1ccccc1OC(CC(=O)O)C(=O)O |
|---|
| InChI Key | BXLMUJSFLJIPAL-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 acid estersbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl estersorganic oxidesphenol ethersphenoxy compoundstricarboxylic acids and derivatives |
|---|
| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acidbenzoylbenzoic acid or derivativestricarboxylic acid or derivativesbenzoate esteralkyl aryl ethercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
