| Name |
Pelargonidin 3-(6''-malonylglucoside)-7-(6'''-caffeylglucoside) |
| Formula |
C39H39O21 |
| Mw |
843.19838331 |
| CAS RN |
165070-67-7 |
| C_ID |
C00006779
, 
|
| InChIKey |
ZBRYJKOIAMXBDN-UHFFFAOYNA-O |
| InChICode |
InChI=1S/C39H38O21/c40-18-5-3-17(4-6-18)37-25(58-39-36(53)34(51)32(49)27(60-39)15-55-30(47)13-28(44)45)12-20-22(42)10-19(11-24(20)57-37)56-38-35(52)33(50)31(48)26(59-38)14-54-29(46)8-2-16-1-7-21(41)23(43)9-16/h1-12,26-27,31-36,38-39,48-53H,13-15H2,(H4-,40,41,42,43,44,45,46)/p+1/t26-,27+,31-,32-,33+,34+,35+,36-,38-,39-/m1/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)CC(=O)O)O)O)O)c1ccc(cc1)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Senecio cruentus | Ref. |
|
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