Mol:FL5FEAGL0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  50  51 
M  SBL   1  1  56 
M  SMT   1  CH2OH 
M  SBV   1  56   -0.7115   -0.0356 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  52  53 
M  SBL   2  1  58 
M  SMT   2 ^ CH2OH 
M  SBV   2  58    0.4470   -0.5849 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  54  55 
M  SBL   3  1  60 
M  SMT   3 ^ CH2OH 
M  SBV   3  60    0.7900   -0.3325 
S  SKP  5 
ID	FL5FEAGL0004 
FORMULA	C33H40O22 
EXACTMASS	788.201122964 
AVERAGEMASS	788.6575 
SMILES	OC(C(CO)1)C(C(O)C(Oc(c5OC(C6O)OC(C(O)C6O)CO)c(O)c(c(c5)4)C(C(=C(O4)c(c3)ccc(O)c3)OC(C2O)OC(CO)C(O)C(O)2)=O)O1)O 
M  END