| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:30:07 UTC |
|---|
| Update Date | 2025-03-21 18:41:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00134331 |
|---|
| Frequency | 18.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H18O4 |
|---|
| Molecular Mass | 250.1205 |
|---|
| SMILES | CCC=CCCOC(=O)c1ccc(OC)cc1O |
|---|
| InChI Key | COIAJRYNONZXTL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | p-methoxybenzoic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssalicylic acid and derivativesvinylogous acidso-hydroxybenzoic acid esters |
|---|
| Substituents | phenol etherethermethoxyphenolbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoate esteralkyl aryl ethercarboxylic acid derivativeorganic oxide1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid esterp-methoxybenzoic acid or derivativesanisolecarboxylic acid esterphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
