| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:35:58 UTC |
|---|
| Update Date | 2025-03-21 17:57:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00006069 |
|---|
| Frequency | 861.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H14O6 |
|---|
| Molecular Mass | 266.079 |
|---|
| SMILES | O=C(O)CCCCOC(=O)c1ccccc1C(=O)O |
|---|
| InChI Key | UPTFBZUGRJWQKY-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 derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesorganic oxidestricarboxylic acids and derivatives |
|---|
| Substituents | carbonyl groupcarboxylic acidbenzoyltricarboxylic acid or derivativesbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
|---|
