| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:38:24 UTC |
|---|
| Update Date | 2025-03-21 17:58:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00011758 |
|---|
| Frequency | 391.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8O3 |
|---|
| Molecular Mass | 164.0473 |
|---|
| SMILES | CC(=O)OC(=O)c1ccccc1 |
|---|
| InChI Key | CXBNMPMLFONTPO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzyloxycarbonyls |
|---|
| Direct Parent | benzyloxycarbonyls |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzoic acids and derivativesbenzoyl derivativescarbonyl compoundscarboxylic acid anhydridesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxides |
|---|
| Substituents | benzyloxycarbonylcarbonyl groupbenzoylbenzoic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid anhydridedicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
