| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:18 UTC |
|---|
| Update Date | 2025-03-21 18:33:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00096332 |
|---|
| Frequency | 28.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H14O5 |
|---|
| Molecular Mass | 286.0841 |
|---|
| SMILES | O=C(O)c1ccccc1C(=O)OCC(O)c1ccccc1 |
|---|
| InChI Key | XBQVQWUTSZKSAX-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 compoundsaromatic alcoholsbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholcarboxylic acidbenzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
|---|
