| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:40:08 UTC |
|---|
| Update Date | 2025-03-21 18:48:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00157601 |
|---|
| Frequency | 15.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6O2 |
|---|
| Molecular Mass | 110.0368 |
|---|
| SMILES | C=C1C=C(C)C(=O)O1 |
|---|
| InChI Key | JTOAPCOQJLEHPT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | dihydrofurans |
|---|
| Subclass | furanones |
|---|
| Direct Parent | butenolides |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundsdihydrofuransenoate estersenol estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
|---|
| Substituents | enoate estercarbonyl groupcarboxylic acid derivativelactoneoxacyclealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeenol esterorganooxygen compound |
|---|
