| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:44:48 UTC |
|---|
| Update Date | 2025-03-21 18:00:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00026196 |
|---|
| Frequency | 146.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H10O3 |
|---|
| Molecular Mass | 190.063 |
|---|
| SMILES | O=C(O)CC(=O)C=Cc1ccccc1 |
|---|
| InChI Key | VNMMLNVSLPRZDK-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 compoundsbenzene and substituted derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarbocyclic fatty acidscarboxylic acidsenonesfatty acylshydrocarbon derivativesmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesb'-hydroxy-alpha,beta-unsaturated ketones |
|---|
| Substituents | fatty acylbeta-hydroxy ketonecarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha,beta-unsaturated ketonecarboxylic acid derivativebeta-keto acidketonearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compoundenonemedium-chain keto acid |
|---|
