| Name |
Cyanidin 3-O-[6-O-(malonyl)-beta-D-glucopyranoside]-7-O-[6-O-(trans-caffeyl)-beta-D-glucopyranoside]-3'-O-[6-O-(trans-4-O-(6-O-(trans-4-O-(beta-D-glucopyranosyl)-caffeyl)-beta-D-glucopyranosyl)-caffeyl)-beta-D-glucopyranoside] |
| Formula |
C75H81O43 |
| Mw |
1669.41515634 |
| CAS RN |
|
| C_ID |
C00011085
, 
|
| InChIKey |
FJMKZFRWAZTBGW-OBAMOADGNA-O |
| InChICode |
InChI=1S/C75H80O43/c76-23-45-55(89)60(94)66(100)72(114-45)110-40-10-2-29(16-38(40)81)5-13-52(86)105-25-47-57(91)62(96)67(101)73(116-47)111-41-11-3-30(17-39(41)82)6-14-53(87)106-26-48-58(92)63(97)68(102)74(117-48)112-43-18-31(7-9-35(43)78)70-44(113-75-69(103)64(98)59(93)49(118-75)27-107-54(88)22-50(83)84)21-33-36(79)19-32(20-42(33)109-70)108-71-65(99)61(95)56(90)46(115-71)24-104-51(85)12-4-28-1-8-34(77)37(80)15-28/h1-21,45-49,55-69,71-76,89-103H,22-27H2,(H6-,77,78,79,80,81,82,83,84,85)/p+1/b13-5+,14-6+/t45-,46-,47-,48-,49-,55-,56-,57-,58-,59-,60+,61+,62+,63+,64-,65+,66+,67-,68-,69+,71-,72-,73-,74-,75-/m1/s1 |
| SMILES |
O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O[C@@H]4OC(COC(=O)/C=C/c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)C4O)cc3[o+]c2-c2ccc(O)c(O[C@@H]3O[C@H](COC(=O)/C=C/c4ccc(O[C@@H]5O[C@H](COC(=O)/C=C/c6ccc(O[C@@H]7OC(CO)[C@@H](O)[C@H](O)C7O)c(O)c6)[C@@H](O)C(O)C5O)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 | Orchidaceae | Bletilla striata  | Ref. |
|
|
zoom in
| Organism | Bletilla striata |
|---|
| Reference | Saito,Phytochem.,40,(1995),1523 |
|---|
|
