| Name(s) |
chlorogenic acid; 3-caffeoylquinic acid; cis-chlorogenic acid; 3-o-caffeoylquinic acid; caffeoylquinic acid; 5'-caffeoyl quinic acid; 3-o-caffeoyl-d-quinic acid |
| Scientific name(s) |
chlorogenic acid; 327-97-9; 3-(3,4-dihydroxycinnamoyl)quinic acid; 3-o-caffeoylquinic acid; heriguard; 3-caffeoylquinic acid; chlorogenate |
| Formula |
C16H18O9 |
| Molecular mass |
354.311 |
| IUPAC name |
(1s,3r,4r,5r)-3-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; 3-caffeoylquinid acid |
| INCHI |
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
| SMILE |
O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@@H]1O)C(O)=O |
| CAS ID |
327-97-9; 906-33-2; 202650-88-2 |
| PubChem ID |
1794427 |
| DrugBank ID |
Not available |
| CHEBI ID |
16112 |
