Mol:FL7AACGL0078

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M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  51  52 
M  SBL   5  1  55 
M  SMT   5  CH2OH 
M  SVB   5 55   -4.7389    0.9187 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  83  84 
M  SBL   4  1  90 
M  SMT   4  OCH3 
M  SVB   4 90    4.6524    4.2987 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  81  82 
M  SBL   3  1  88 
M  SMT   3  OCH3 
M  SVB   3 88   -4.2922   -4.5339 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  79  80 
M  SBL   2  1  86 
M  SMT   2  OCH3 
M  SVB   2 86    2.6122    4.5936 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  77  78 
M  SBL   1  1  84 
M  SMT   1  OCH3 
M  SVB   1 84   -3.8295   -2.3975 
S  SKP  8 
ID	FL7AACGL0078 
KNApSAcK_ID	C00006854 
NAME	Cyanidin 3-(6'',6'''-disinapylsophoroside)-5-glucoside 
CAS_RN	110202-93-2 
FORMULA	C55H61O29 
EXACTMASS	1185.32985099 
AVERAGEMASS	1186.0554399999999 
SMILES	Oc(c(OC)1)c(OC)cc(C=CC(OC[C@@H](O4)[C@@H](C(C([C@H](Oc(c7)c(c(c8)ccc(O)c(O)8)[o+1]c(c57)cc(cc5O[C@H](O6)[C@@H](O)[C@@H](O)[C@H](C(CO)6)O)O)4)O[C@H]([C@H](O)2)OC(COC(=O)C=Cc(c3)cc(c(O)c3OC)OC)[C@H]([C@H]2O)O)O)O)=O)c1 
M  END
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