| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:48:27 UTC |
|---|
| Update Date | 2025-03-25 00:49:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02174932 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H24O5 |
|---|
| Molecular Mass | 320.1624 |
|---|
| SMILES | CCCCCC(CC(=O)C=Cc1ccc(O)c(OC)c1)C(=O)O |
|---|
| InChI Key | BAGZGUBODFQCLB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | cinnamic acids and derivatives |
|---|
| Subclass | hydroxycinnamic acids and derivatives |
|---|
| Direct Parent | hydroxycinnamic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacryloyl compoundsalkyl aryl ethersanisolesbranched fatty acidscarbocyclic fatty acidscarboxylic acidsenonesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsketonesmedium-chain keto acids and derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
|---|
| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha,beta-unsaturated ketonecarboxylic acid derivativeketoneorganic oxidehydroxy fatty acidenonemethoxybenzenebranched fatty acidhydroxycinnamic acidgamma-keto acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidphenolhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundorganooxygen compoundmedium-chain keto acid |
|---|
