| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:20 UTC |
|---|
| Update Date | 2025-03-25 00:46:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02154305 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H20O6 |
|---|
| Molecular Mass | 368.126 |
|---|
| SMILES | COc1cc(C=CC(=O)Oc2ccc(CC3CCC(=O)O3)cc2)ccc1O |
|---|
| InChI Key | VALBBOOYIAXGQT-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 heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolescarbonyl compoundsdicarboxylic acids and derivativesenoate estersfatty acid estersgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenol estersphenoxy compoundstetrahydrofurans |
|---|
| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativelactonealpha,beta-unsaturated carboxylic esterorganic oxideorganoheterocyclic compoundenoate estertetrahydrofuranmethoxybenzenegamma butyrolactonehydroxycinnamic acidoxacyclefatty acid esterorganic oxygen compoundanisolecarboxylic acid esterphenol esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
