| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:22:19 UTC |
|---|
| Update Date | 2025-03-21 18:37:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00115963 |
|---|
| Frequency | 22.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H22O6 |
|---|
| Molecular Mass | 322.1416 |
|---|
| SMILES | CCC(CCC(=O)O)COC(=O)C=Cc1ccc(O)c(OC)c1 |
|---|
| InChI Key | RSTZHGXQQFPRLS-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 benzenoidsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compounds |
|---|
| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxideenoate estermethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundanisolecarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
