| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:55 UTC |
|---|
| Update Date | 2025-03-25 00:50:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02178342 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14O5 |
|---|
| Molecular Mass | 238.0841 |
|---|
| SMILES | Cc1oc(C=CC(=O)O)c(C)c1CCC(=O)O |
|---|
| InChI Key | CGVGYLPBIXFXIE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | dicarboxylic acids and derivatives |
|---|
| Direct Parent | dicarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidsfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesoxacyclic compounds |
|---|
| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheteroaromatic compoundoxacycleorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
|---|
