| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:35:07 UTC |
|---|
| Update Date | 2025-03-21 17:56:52 UTC |
|---|
| HMDB ID | HMDB0033379 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00004136 |
|---|
| Name | cis-3-Hexenyl benzoate |
|---|
| Frequency | 1369.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16O2 |
|---|
| Molecular Mass | 204.115 |
|---|
| SMILES | CCC=CCCOC(=O)c1ccccc1 |
|---|
| InChI Key | BCOXBEHFBZOJJZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acid esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compounds |
|---|
| Substituents | benzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
|---|
