| Name |
Cyanidin 3-(6''-malonylglucoside-3'-(6'''-caffeylglucoside) |
| Formula |
C39H39O22 |
| Mw |
859.19329793 |
| CAS RN |
150447-30-6 |
| C_ID |
C00006830
, 
|
| InChIKey |
NOZAHMDWJGWUDF-CXYJAIRANA-O |
| InChICode |
InChI=1S/C39H38O22/c40-17-9-21(43)18-11-25(59-39-36(54)34(52)32(50)27(61-39)14-56-30(48)12-28(45)46)37(57-23(18)10-17)16-3-5-20(42)24(8-16)58-38-35(53)33(51)31(49)26(60-38)13-55-29(47)6-2-15-1-4-19(41)22(44)7-15/h1-11,26-27,31-36,38-39,49-54H,12-14H2,(H5-,40,41,42,43,44,45,46,47)/p+1/t26-,27-,31+,32+,33-,34+,35+,36-,38+,39+/m0/s1 |
| SMILES |
O=C(O)CC(=O)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O[C@@H]3O[C@@H](COC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H](O)C(O)C3O)c2)C(O)C(O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Senecio cruentus | Ref. |
|
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