| Name |
Cyanidin 3-(6''-caffeylglucoside) |
| Formula |
C30H27O14 |
| Mw |
611.14008057 |
| CAS RN |
28983-74-6 |
| C_ID |
C00006801
, 
|
| InChIKey |
RTVUMLBJQCCROY-LHXYVNGMNA-O |
| InChICode |
InChI=1S/C30H26O14/c31-15-9-19(34)16-11-23(29(42-22(16)10-15)14-3-5-18(33)21(36)8-14)43-30-28(40)27(39)26(38)24(44-30)12-41-25(37)6-2-13-1-4-17(32)20(35)7-13/h1-11,24,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t24-,26+,27+,28-,30+/m0/s1 |
| SMILES |
c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)COC(=O)/C=C/c1ccc(c(c1)O)O)O)O)O)c1ccc(c(c1)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Silene dioica | Ref. |
|
|
zoom in
|
