| Name |
Delphinidin 3-rutinoside-5-(6-(Z)-p-coumaroylglucoside) |
| Formula |
C42H47O23 |
| Mw |
919.25081281 |
| CAS RN |
178737-75-2 |
| C_ID |
C00014813
, 
|
| InChIKey |
XJYKTQOUFOKCDP-FTAZMWODNA-O |
| InChICode |
InChI=1S/C42H46O23/c1-15-29(48)33(52)36(55)40(60-15)59-14-27-32(51)35(54)38(57)42(65-27)63-25-12-20-23(61-39(25)17-8-21(45)30(49)22(46)9-17)10-19(44)11-24(20)62-41-37(56)34(53)31(50)26(64-41)13-58-28(47)7-4-16-2-5-18(43)6-3-16/h2-12,15,26-27,29,31-38,40-42,48,50-57H,13-14H2,1H3,(H4-,43,44,45,46,47,49)/p+1/t15-,26+,27+,29-,31+,32+,33+,34-,35-,36-,37-,38+,40+,41+,42+/m0/s1 |
| SMILES |
CC1O[C@@H](OCC2O[C@@H](Oc3cc4c(O[C@@H]5OC(COC(=O)/C=Cc6ccc(O)cc6)[C@@H](O)[C@H](O)C5O)cc(O)cc4[o+]c3-c3cc(O)c(O)c(O)c3)C(O)[C@@H](O)[C@@H]2O)[C@@H](O)C(O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Gentianaceae | Eustoma grandiflorum | Ref. |
|
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