input word = C00014775

Metabolite InformationStructural formula
Name Cyanidin 7-(3-glucosyl-6-malonylglucoside)-4'-glucoside
Formula C36H43O24
Mw 859.21442731
CAS RN 651768-28-4
C_ID C00014775 ,
InChIKey QGCHIWXFUJCTJP-RWYFKDAGNA-O
InChICode InChI=1S/C36H42O24/c37-8-19-24(45)27(48)29(50)34(57-19)56-17-2-1-11(3-15(17)40)32-16(41)6-13-14(39)4-12(5-18(13)55-32)54-36-31(52)33(26(47)21(59-36)10-53-23(44)7-22(42)43)60-35-30(51)28(49)25(46)20(9-38)58-35/h1-6,19-21,24-31,33-38,45-52H,7-10H2,(H3-,39,40,41,42,43)/p+1/t19-,20-,21+,24-,25-,26-,27+,28+,29+,30-,31?,33+,34-,35+,36-/m1/s1
SMILES O=C(O)CC(=O)OCC1O[C@@H](Oc2cc(O)c3cc(O)c(-c4ccc(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)c(O)c4)[o+]c3c2)C(O)[C@@H](O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
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