| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:04:28 UTC |
|---|
| Update Date | 2025-03-21 18:28:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00072851 |
|---|
| Frequency | 41.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12O3 |
|---|
| Molecular Mass | 180.0786 |
|---|
| SMILES | COC(=O)C(C)(O)c1ccccc1 |
|---|
| InChI Key | CDMFKOGXDUTORS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzene and substituted derivatives |
|---|
| Direct Parent | benzene and substituted derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aromatic alcoholscarbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
|---|
| Substituents | aromatic alcoholalcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
|---|
