| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 11:15:10 UTC |
|---|
| Update Date | 2025-03-24 21:05:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01670438 |
|---|
| Frequency | 0.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H6O3 |
|---|
| Molecular Mass | 138.0317 |
|---|
| SMILES | O=CCc1cccc(=O)o1 |
|---|
| InChI Key | YQBXUMCFYMAUHJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrans |
|---|
| Subclass | pyranones and derivatives |
|---|
| Direct Parent | pyranones and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha-hydrogen aldehydesheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesoxacyclic compounds |
|---|
| Substituents | carbonyl grouparomatic heteromonocyclic compoundheteroaromatic compoundaldehydelactoneoxacycleorganic oxideorganic oxygen compoundalpha-hydrogen aldehydepyranonehydrocarbon derivativeorganooxygen compound |
|---|
