| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:35:56 UTC |
|---|
| Update Date | 2025-03-21 17:57:09 UTC |
|---|
| HMDB ID | HMDB0029318 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00005995 |
|---|
| Name | Caffeoylmalic acid |
|---|
| Frequency | 874.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H12O8 |
|---|
| Molecular Mass | 296.0532 |
|---|
| SMILES | O=C(O)CC(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O |
|---|
| InChI Key | PMKQSEYPLQIEAY-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 benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsenoate estersfatty acid estershydrocarbon derivativesorganic oxidestricarboxylic acids and derivatives |
|---|
| Substituents | enoate esterfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativehydroxycinnamic acidaromatic homomonocyclic compoundalpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
