| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 08:56:05 UTC |
|---|
| Update Date | 2025-03-24 20:06:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01338051 |
|---|
| Frequency | 1.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6O3 |
|---|
| Molecular Mass | 126.0317 |
|---|
| SMILES | CC1(O)C(=O)C=CC1=O |
|---|
| InChI Key | TWHTUXSTNVJSIF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | acyloins |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | cyclic ketoneshydrocarbon derivativesorganic oxidestertiary alcohols |
|---|
| Substituents | ketonealcoholtertiary alcoholorganic oxideacyloinaliphatic homomonocyclic compoundhydrocarbon derivativecyclic ketone |
|---|
