| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-21 00:19:34 UTC |
|---|
| Update Date | 2025-03-21 18:36:10 UTC |
|---|
| HMDB ID | HMDB0035446 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00109300 |
|---|
| Name | Methylrosmarinic acid |
|---|
| Frequency | 24.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H18O8 |
|---|
| Molecular Mass | 374.1002 |
|---|
| SMILES | COC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1 |
|---|
| InChI Key | XHALVRQBZGZHFE-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 compoundsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmethyl estersorganic oxides |
|---|
| Substituents | enoate esterfatty acylmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativehydroxycinnamic acidaromatic homomonocyclic compoundalpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
