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CHEBI:15596 - sinapic acid (S)-malate ester
| Formula | C15H16O9 |
| Net Charge | 0 |
| Average Mass | 340.284 |
| Monoisotopic Mass | 340.07943 |
| SMILES | COc1cc(/C=C/C(=O)O)cc(OC)c1OC(=O)[C@@H](O)CC(=O)O |
| InChI | InChI=1S/C15H16O9/c1-22-10-5-8(3-4-12(17)18)6-11(23-2)14(10)24-15(21)9(16)7-13(19)20/h3-6,9,16H,7H2,1-2H3,(H,17,18)(H,19,20)/b4-3+/t9-/m0/s1 |
| InChIKey | SVOZVFTXNDIEBH-NWALNABHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| sinapic acid (S)-malate ester (CHEBI:15596) has functional parent (S)-malate(2−) (CHEBI:15589) |
| sinapic acid (S)-malate ester (CHEBI:15596) is a malate ester (CHEBI:36188) |
| sinapic acid (S)-malate ester (CHEBI:15596) is conjugate acid of sinapoyl (S)-malate(2−) (CHEBI:57426) |
| Incoming Relation(s) |
| sinapoyl (S)-malate(2−) (CHEBI:57426) is conjugate base of sinapic acid (S)-malate ester (CHEBI:15596) |
| IUPAC Name |
|---|
| 3-(4-{[(2S)-3-carboxy-2-hydroxypropanoyl]oxy}-3,5-dimethoxyphenyl)prop-2-enoic acid |
| Synonyms | Source |
|---|---|
| Sinapoyl-(S)-malate | KEGG COMPOUND |
| Sinapoyl-(S)-malate | KEGG COMPOUND |