Mol:FL3FCACS0024

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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  1 55  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  51  52 
M  SBL   1  1  57 
M  SMT   1 ^ OCH3 
M  SBV   1  57    0.9176   -0.1272 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  53  54 
M  SBL   2  1  59 
M  SMT   2 ^ CH2OH 
M  SBV   2  59    0.5598   -0.5414 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  55  56 
M  SBL   3  1  61 
M  SMT   3 ^ OCH3 
M  SBV   3  61    0.4588   -0.7948 
S  SKP  5 
ID	FL3FCACS0024 
FORMULA	C38H40O18 
EXACTMASS	784.2214644759999 
AVERAGEMASS	784.7134 
SMILES	C(C(=O)OCC(O2)C(O)C(O)C(O)C(OC(C3c(c6O)c(cc(c65)OC(=CC5=O)c(c4)ccc(c4)O)OC)C(C(O)C(CO)O3)O)2)=Cc(c1)ccc(c(OC)1)O 
M  END