| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:47:01 UTC |
|---|
| Update Date | 2025-03-21 18:01:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00031373 |
|---|
| Frequency | 117.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12O3 |
|---|
| Molecular Mass | 156.0786 |
|---|
| SMILES | O=C(O)CC1C=CC(O)CC1 |
|---|
| InChI Key | XAROMUFWBUWEBH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | secondary alcohols |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | carbonyl grouporganic oxidemonocarboxylic acid or derivativescarboxylic acidsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativecarboxylic acid derivative |
|---|
