| Name |
Cyanidin 3-[6-(6-p-hydroxybenzoylglucosyl)-2-xylosylgalactoside] |
| Formula |
C39H43O22 |
| Mw |
863.22459806 |
| CAS RN |
|
| C_ID |
C00006831
, 
|
| InChIKey |
NKWMVPVTAGESHZ-UDDCLMRKNA-O |
| InChICode |
InChI=1S/C39H42O22/c40-16-4-1-14(2-5-16)36(53)54-12-25-28(47)30(49)33(52)37(59-25)56-13-26-29(48)31(50)35(61-38-32(51)27(46)22(45)11-55-38)39(60-26)58-24-10-18-20(43)8-17(41)9-23(18)57-34(24)15-3-6-19(42)21(44)7-15/h1-10,22,25-33,35,37-39,45-52H,11-13H2,(H4-,40,41,42,43,44,53)/p+1/t22-,25-,26-,27-,28+,29-,30-,31+,32-,33+,35+,37+,38-,39+/m0/s1 |
| SMILES |
O=C(OCC1O[C@@H](OCC2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)C(O[C@@H]3OC[C@@H](O)C(O)[C@H]3O)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O)c1ccc(O)cc1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Daucus carota  | Ref. |
|
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