| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:47 UTC |
|---|
| Update Date | 2025-03-21 18:03:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00042785 |
|---|
| Frequency | 79.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H18O3 |
|---|
| Molecular Mass | 234.1256 |
|---|
| SMILES | CCC=CCCOC(=O)c1ccccc1OC |
|---|
| InChI Key | QPBLHCLXKJHRGL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | o-methoxybenzoic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesbenzoic acid estersbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
|---|
| Substituents | phenol etheretherbenzoylbenzoate esteralkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisoleo-methoxybenzoic acid or derivativescarboxylic acid esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
