| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:47 UTC |
|---|
| Update Date | 2025-03-25 00:47:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02164207 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H16O7 |
|---|
| Molecular Mass | 296.0896 |
|---|
| SMILES | CC(O)C(CCOC(=O)c1ccccc1C(=O)O)C(=O)O |
|---|
| InChI Key | LVKOFYKQKSDJIF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acid esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesorganic oxidessecondary alcoholstricarboxylic acids and derivatives |
|---|
| Substituents | alcoholcarbonyl groupcarboxylic acidbenzoyltricarboxylic acid or derivativesbenzoate esterhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
|---|
