| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 02:41:11 UTC |
|---|
| Update Date | 2025-03-21 21:55:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00440970 |
|---|
| Frequency | 4.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H6O3 |
|---|
| Molecular Mass | 138.0317 |
|---|
| SMILES | CC(=O)c1coccc1=O |
|---|
| InChI Key | VYNKUFCZXXSXSZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | aryl alkyl ketones |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | cyclic ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
|---|
| Substituents | aryl alkyl ketonearomatic heteromonocyclic compoundheteroaromatic compoundcyclic ketoneoxacycleorganic oxidepyranpyranonehydrocarbon derivativeorganoheterocyclic compound |
|---|
