| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:01:24 UTC |
|---|
| Update Date | 2025-03-25 00:54:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02204470 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6O2 |
|---|
| Molecular Mass | 110.0368 |
|---|
| SMILES | O=CC1=COC=CC1 |
|---|
| InChI Key | AGQSHJGQOZCIQK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrans |
|---|
| Subclass | pyrans |
|---|
| Direct Parent | pyrans |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | aldehydeshydrocarbon derivativesorganic oxidesoxacyclic compoundsvinylogous esters |
|---|
| Substituents | oxacyclecarbonyl grouporganic oxideorganic oxygen compoundvinylogous esterpyranaliphatic heteromonocyclic compoundaldehydehydrocarbon derivativeorganooxygen compound |
|---|
