| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:05:00 UTC |
|---|
| Update Date | 2025-03-21 18:28:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00074150 |
|---|
| Frequency | 40.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8O4 |
|---|
| Molecular Mass | 168.0423 |
|---|
| SMILES | O=CCc1cc(O)c(O)c(O)c1 |
|---|
| InChI Key | OLQQZYJMBTZLJU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | benzenetriols and derivatives |
|---|
| Direct Parent | pyrogallols and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha-hydrogen aldehydeshydrocarbon derivativesorganic oxidesphenylacetaldehydes |
|---|
| Substituents | monocyclic benzene moietycarbonyl grouppyrogallol derivative1-hydroxy-2-unsubstituted benzenoidaldehyde1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundalpha-hydrogen aldehydehydrocarbon derivativeorganooxygen compoundphenylacetaldehyde |
|---|
