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67879-58-7 , Caftaric acid,
單咖啡酰酒石酸,
Cas:67879-58-7
MFCD02094177
C13H12O9 / 312.23
Caftaric acid is a tartaric ester of hydroxycinnamic acid. Caftaric acid is a natural phenolic compound present in grapes and wine, in chicory, and in Echinacea plants. In rats, it is quickly absorbed in the stomach, and detected in blood and in kidneys, whereas only its conversion product trans-fertaric acid is found in urine. In humans, caftaric acid has been suggested as an inhibitor of protein phospholipase A2-like (PLA2-like) toxins that are present in snake venom.
| CAS Number | 67879-58-7 |
| Product Name | Caftaric acid |
| IUPAC Name | (2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid |
| Molecular Formula | C13H12O9 |
| Molecular Weight | 312.23 g/mol |
| InChI | InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1 |
| InChI Key | SWGKAHCIOQPKFW-JTNORFRNSA-N |
| Synonyms | Mono-(3,4-dihydroxycinnamoyl)-tartaric acid; Caffeoyltartaric acid |
| Canonical SMILES | C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O |
| Isomeric SMILES | C1=CC(=C(C=C1/C=C/C(=O)O[C@H]([C@H](C(=O)O)O)C(=O)O)O)O |
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