| Name |
Pelargonidin 3-(4'''-p-coumarylrutinoside)-5-glucoside |
| Formula |
C42H47O21 |
| Mw |
887.26098357 |
| CAS RN |
202335-29-3 |
| C_ID |
C00006789
, 
|
| InChIKey |
YRIQSIPLGNEDOM-MLGUSWPVNA-O |
| InChICode |
InChI=1S/C42H46O21/c1-17-38(63-29(47)11-4-18-2-7-20(44)8-3-18)34(52)37(55)40(57-17)56-16-28-31(49)33(51)36(54)42(62-28)60-26-14-23-24(58-39(26)19-5-9-21(45)10-6-19)12-22(46)13-25(23)59-41-35(53)32(50)30(48)27(15-43)61-41/h2-14,17,27-28,30-38,40-43,48-55H,15-16H2,1H3,(H2-,44,45,46,47)/p+1/t17-,27+,28+,30+,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(CO)[C@@H](O)[C@H](O)C5O)cc(O)cc4[o+]c3-c3ccc(O)cc3)C(O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Silene dioica | Ref. |
| Plantae | Solanaceae | Solanum andigena x Solanum tuberosum | Ref. |
|
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