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 |
c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](COC(=O)c2ccc(cc2)O)O1)O)O)O)O)O)O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)c1ccc(c(c1)O)O)O)O |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Apiaceae | Daucus carota | Ref. |
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