| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:07:58 UTC |
|---|
| Update Date | 2025-03-21 18:30:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00081346 |
|---|
| Frequency | 35.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H12O8 |
|---|
| Molecular Mass | 296.0532 |
|---|
| SMILES | O=CC(O)C(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O |
|---|
| InChI Key | UUIWOIKQPYWSGD-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 benzenoidsalpha-hydroxyaldehydesbenzene and substituted derivativesbeta hydroxy acids and derivativescarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmonosaccharidesorganic oxidessecondary alcohols |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativealpha,beta-unsaturated carboxylic esterbeta-hydroxy acidsaccharideorganic oxidealpha-hydroxyaldehydeenoate esteralcoholaldehydehydroxy acid1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
