Mol:FL5FCAGL0006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  46  47 
M  SBL   1  1  52 
M  SMT   1  CH2OH 
M  SBV   1  52    0.0000    1.2050 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  48  49 
M  SBL   2  1  54 
M  SMT   2 ^ OCH3 
M  SBV   2  54    0.7091   -0.4094 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  50  51 
M  SBL   3  1  56 
M  SMT   3  CH2OH 
M  SBV   3  56   -0.7843    0.2102 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  52  53 
M  SBL   4  1  58 
M  SMT   4  CH2OH 
M  SBV   4  58    0.0000    0.6629 
S  SKP  5 
ID	FL5FCAGL0006 
FORMULA	C33H40O20 
EXACTMASS	756.21129372 
AVERAGEMASS	756.6587 
SMILES	C(O6)(C(C(C(O)C6CO)O)O)Oc(c1)ccc(C(=C(OC(C(OC(O5)C(O)C(O)(CO)C5)4)OC(C(O)C(O)4)CO)3)Oc(c2C3=O)cc(cc2O)OC)c1 
M  END