| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:16:52 UTC |
|---|
| Update Date | 2025-03-21 18:34:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00102679 |
|---|
| Frequency | 26.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12O4 |
|---|
| Molecular Mass | 220.0736 |
|---|
| SMILES | O=C1CCC(Cc2ccccc2C(=O)O)O1 |
|---|
| InChI Key | YPPJGGJLLXBJTG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundtetrahydrofuranbenzoylcarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compoundorganooxygen compound |
|---|
