| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:52 UTC |
|---|
| Update Date | 2025-03-21 18:34:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00100154 |
|---|
| Frequency | 27.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H22O10 |
|---|
| Molecular Mass | 434.1213 |
|---|
| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OCOC(=O)CCC(O)Cc1cc(O)c(O)c(O)c1 |
|---|
| InChI Key | DVKGGNWZOIMZPY-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsacylalsbenzene and substituted derivativescarbonyl compoundsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesorganic oxidespyrogallols and derivativessecondary alcohols |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeacylalalpha,beta-unsaturated carboxylic esterorganic oxideacetalenoate esteralcoholpyrogallol derivativebenzenetriol1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
