| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:12:29 UTC |
|---|
| Update Date | 2025-03-25 00:58:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02229833 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H20O3 |
|---|
| Molecular Mass | 260.1412 |
|---|
| SMILES | CCCC=CC(O)CC(=O)C(O)=Cc1ccccc1 |
|---|
| InChI Key | BNIKVBPBRAUGHO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | cinnamic acids and derivatives |
|---|
| Subclass | cinnamic acids and derivatives |
|---|
| Direct Parent | cinnamic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonesalpha-hydroxy ketonesbenzene and substituted derivativesbeta-hydroxy ketonesenonesfatty alcoholshydrocarbon derivativesorganic oxidessecondary alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
|---|
| Substituents | alcoholfatty acylalpha-branched alpha,beta-unsaturated-ketonebeta-hydroxy ketonemonocyclic benzene moietycarbonyl groupb'-hydroxy-alpha,beta-unsaturated-ketonealpha,beta-unsaturated ketonealpha-hydroxy ketoneketonearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxideorganic oxygen compoundfatty alcoholsecondary alcoholhydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compoundenone |
|---|
