| Name |
(Cyanidin 3-O-(3-O-acetyl-beta-glucoside) (kaempferol 3-O-(2-O-beta-glucosyl-beta-glucoside)-7-O-beta-glucosiduronic acid) malonate |
| Formula |
C59H61O36 |
| Mw |
1345.29425335 |
| CAS RN |
289656-02-6 |
| C_ID |
C00014865
, 
|
| InChIKey |
HBUWQFVZPZYYDU-VITJFTHVNA-O |
| InChICode |
InChI=1S/C59H60O36/c1-18(62)84-50-40(73)34(91-57(47(50)80)88-31-13-24-26(66)9-22(64)10-29(24)86-48(31)20-4-7-25(65)27(67)8-20)17-83-35(69)14-36(70)92-53-45(78)44(77)52(55(81)82)94-58(53)85-23-11-28(68)37-30(12-23)87-49(19-2-5-21(63)6-3-19)51(41(37)74)93-59-54(43(76)39(72)33(16-61)90-59)95-56-46(79)42(75)38(71)32(15-60)89-56/h2-13,32-34,38-40,42-47,50,52-54,56-61,71-73,75-80H,14-17H2,1H3,(H6-,63,64,65,66,67,68,74,81,82)/p+1/t32-,33+,34-,38+,39+,40-,42+,43+,44+,45+,46-,47-,50+,52+,53-,54-,56+,57-,58-,59+/m1/s1 |
| SMILES |
CC(=O)OC1C(O)[C@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)O[C@H](COC(=O)CC(=O)OC2[C@H](Oc3cc(O)c4c(=O)c(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)c(-c5ccc(O)cc5)oc4c3)OC(C(=O)O)[C@@H](O)[C@@H]2O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Alliaceae | Allium schoenoprasum  | Ref. |
|
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