| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:59:09 UTC |
|---|
| Update Date | 2025-03-21 18:05:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00060183 |
|---|
| Frequency | 52.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12O4 |
|---|
| Molecular Mass | 220.0736 |
|---|
| SMILES | O=C(O)C1C(=O)OCC1Cc1ccccc1 |
|---|
| InChI Key | VCNUANMDUOJRHZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | lactones |
|---|
| Subclass | gamma butyrolactones |
|---|
| Direct Parent | gamma butyrolactones |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,3-dicarbonyl compoundsbenzene and substituted derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoid1,3-dicarbonyl compoundorganooxygen compound |
|---|
