Mol:FL7AACGL0052

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Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  31  42 
M  SBL   2  1  33 
M  SMT   2  CH2OH 
M  SVB   2 33   -3.4884   -0.7059 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  55  56 
M  SBL   1  1  60 
M  SMT   1  OCH3 
M  SVB   1 60    0.4906    -0.481 
S  SKP  8 
ID	FL7AACGL0052 
KNApSAcK_ID	C00006823 
NAME	Cyanidin 3-(6''-ferulylglucoside)-5-glucoside 
CAS_RN	79410-82-5 
FORMULA	C37H39O19 
EXACTMASS	787.208554066 
AVERAGEMASS	787.69416 
SMILES	C(O)C(O1)[C@H](O)[C@H](O)[C@H](O)[C@H](Oc(c6)c(c(cc(O)6)2)cc(O[C@@H](C(O)5)O[C@@H]([C@H](O)C(O)5)COC(=O)C=Cc(c4)ccc(O)c(OC)4)c(c(c3)ccc(c(O)3)O)[o+1]2)1 
M  END
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