| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:02 UTC |
|---|
| Update Date | 2025-03-25 00:47:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02162510 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12O3 |
|---|
| Molecular Mass | 204.0786 |
|---|
| SMILES | O=C(O)C=CC(O)C=Cc1ccccc1 |
|---|
| InChI Key | KNVSNDVKOYSXAZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | cinnamyl alcohols |
|---|
| Subclass | cinnamyl alcohols |
|---|
| Direct Parent | cinnamyl alcohols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzene and substituted derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsunsaturated fatty acids |
|---|
| Substituents | alcoholfatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty acidcinnamyl alcoholcarboxylic acid derivativemedium-chain hydroxy acidaromatic homomonocyclic compoundunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidbenzenoidorganooxygen compound |
|---|
