Mol:FL3FACGS0049

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  49  50  51 
M  SBL   1  1  56 
M  SMT   1  COOH 
M  SBV   1  56   -0.6750    0.5838 
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    0.2070   -1.0037 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  3  54  55  56 
M  SBL   3  1  61 
M  SMT   3 ^ COOH 
M  SBV   3  61    0.1486   -0.9819 
S  SKP  5 
ID	FL3FACGS0049 
FORMULA	C33H36O23 
EXACTMASS	800.164737458 
AVERAGEMASS	800.62514 
SMILES	O(C(O6)C(O)C(C(O)C6C(O)=O)O)c(c5)cc(c(c51)C(C=C(c(c3)ccc(c(OC(O4)C(C(O)C(C4CO)O)O)3)OC(C2O)OC(C(O)=O)C(C(O)2)O)O1)=O)O 
M  END