| Name |
(Cyanidin 3-O-beta-glucoside)(kaempferol 3-O-(2-O-beta-glucosyl-beta-glucoside)-7-O-beta-glucosiduronic acid) malonate |
| Formula |
C57H59O35 |
| Mw |
1303.28368866 |
| CAS RN |
289656-01-5 |
| C_ID |
C00014866
, 
|
| InChIKey |
YNAGDGFNQJEKFF-UWOUULGPNA-O |
| InChICode |
InChI=1S/C57H58O35/c58-14-30-36(68)40(72)46(78)55(86-30)92-52-42(74)37(69)31(15-59)87-57(52)90-49-39(71)35-26(65)10-21(11-28(35)84-48(49)17-1-4-19(60)5-2-17)82-56-51(44(76)43(75)50(91-56)53(79)80)89-34(67)13-33(66)81-16-32-38(70)41(73)45(77)54(88-32)85-29-12-22-24(63)8-20(61)9-27(22)83-47(29)18-3-6-23(62)25(64)7-18/h1-12,30-32,36-38,40-46,50-52,54-59,68-70,72-78H,13-16H2,(H6-,60,61,62,63,64,65,71,79,80)/p+1/t30-,31-,32-,36-,37-,38-,40+,41+,42+,43+,44+,45-,46-,50+,51-,52-,54-,55+,56-,57+/m1/s1 |
| SMILES |
O=C(CC(=O)OC1[C@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(-c4ccc(O)cc4)oc3c2)OC(C(=O)O)[C@@H](O)[C@@H]1O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Alliaceae | Allium schoenoprasum  | Ref. |
|
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