| Name |
Pelargonidin 3-O-[2-O-(6-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside)
Pelargonidin 3-(2-(6-ferulylglucosyl)-6-ferulylglucoside)-5-glucoside |
| Formula |
C53H57O26 |
| Mw |
1109.313807 |
| CAS RN |
185027-89-8 |
| C_ID |
C00014025
, 
|
| InChIKey |
YXVFBAYOVYYXKW-UMEOLURRNA-O |
| InChICode |
InChI=1S/C53H56O26/c1-69-33-15-23(3-11-29(33)57)5-13-39(59)71-21-37-42(62)45(65)48(68)52(77-37)79-50-46(66)43(63)38(22-72-40(60)14-6-24-4-12-30(58)34(16-24)70-2)78-53(50)75-35-19-28-31(73-49(35)25-7-9-26(55)10-8-25)17-27(56)18-32(28)74-51-47(67)44(64)41(61)36(20-54)76-51/h3-19,36-38,41-48,50-54,61-68H,20-22H2,1-2H3,(H3-,55,56,57,58,59,60)/p+1/t36-,37+,38-,41-,42-,43-,44+,45+,46+,47-,48+,50-,51-,52+,53-/m1/s1 |
| SMILES |
c12c(cc(c([o+]1)c1ccc(cc1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(c(c1)OC)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)COC(=O)/C=C/c1ccc(c(c1)OC)O)O)O)O)c(cc(c2)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Raphanus sativus  | Ref. |
|
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