Mol:FL7AADGL0019

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FL7AADGL0019.png

 
 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  52  53 
M  SBL   2  1  57 
M  SMT   2  CH2OH 
M  SVB   2 57   -3.1496    -0.177 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  54  55 
M  SBL   1  1  59 
M  SMT   1  OCH3 
M  SVB   1 59     2.069    2.8432 
S  SKP  8 
ID	FL7AADGL0019 
KNApSAcK_ID	C00006867 
NAME	Peonidin 3-(6''-p-coumarylglucoside)-5-glucoside 
CAS_RN	51939-65-2 
FORMULA	C37H39O18 
EXACTMASS	771.213639444 
AVERAGEMASS	771.69476 
SMILES	[C@@H](O2)([C@@H](C(C(O)[C@H](Oc(c3)c(c(c6)ccc(O)c6OC)[o+1]c(c4)c3c(O[C@@H]([C@@H](O)5)OC([C@H](O)[C@@H]5O)CO)cc(O)4)2)O)O)COC(=O)C=Cc(c1)ccc(c1)O 
M  END
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