ID C0070  
Compound name Cyanidin 3-O-[2''-O-(2'''-O-(sinapoyl)xylosyl) 6''-O-(p-O-coumaroyl) glucoside] 5-O-[6''''-O-(malonyl) glucoside]
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Mass information 1st experiment  :  LC-Q-TOF/MS (Positive ion mode)
2nd experiment  :  
Molecular Formula C55H57O29
Canonical SMILES COc2cc(cc(OC)c2O)C=CC(=O)OC(C4O)C(O)OCC4OC5C(OC(C(O)C5O)COC(=O)C=Cc(cc8)ccc8O)Oc6cc3c([o+]c6-c(cc7O)ccc7O)cc(O)cc3OC(C1O)OC(COC(=O)CC(O)=O)C(O)C1O
Molecular Weight 1182.02
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