| Name |
Cyanidin 3-O-[2-O-(6-O-(trans-3-O-(beta-D-glucopyranosyl)caffeyl)-beta-D-glucopyranosyl)-6-O-(trans-caffeyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucopyranoside] |
| Formula |
C57H63O32 |
| Mw |
1259.33024492 |
| CAS RN |
710275-50-6 |
| C_ID |
C00011111
, 
|
| InChIKey |
KRHKFNLZGHDXCP-ROXOBITHNA-O |
| InChICode |
InChI=1S/C57H62O32/c58-17-35-41(68)45(72)49(76)54(85-35)82-32-15-24(60)14-31-25(32)16-34(52(81-31)23-5-8-27(62)30(65)13-23)84-57-53(48(75)44(71)38(88-57)20-80-39(66)9-3-21-1-6-26(61)29(64)11-21)89-56-51(78)47(74)43(70)37(87-56)19-79-40(67)10-4-22-2-7-28(63)33(12-22)83-55-50(77)46(73)42(69)36(18-59)86-55/h1-16,35-38,41-51,53-59,68-78H,17-20H2,(H5-,60,61,62,63,64,65,66,67)/p+1/t35-,36+,37+,38+,41+,42+,43+,44+,45-,46-,47-,48-,49-,50+,51+,53+,54+,55+,56-,57+/m0/s1 |
| SMILES |
O=C(/C=C/c1ccc(O)c(O)c1)OCC1O[C@@H](Oc2cc3c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O[C@@H]4O[C@H](CO)[C@@H](O)C(O)C4O)c3)[C@@H](O)C(O)C2O)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea purpurea  | Ref. |
|
|
zoom in
| Organism | Ipomoea purpurea |
|---|
| Reference | Saito,Phytochem.,40,(1995),1283 |
|---|
|
