Mol:FL5FCENSS002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  31  32 
M  SBL   2  1  33 
M  SMT   2  OCH3 
M  SVB   2 33   -2.7465   -0.0926 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  31 
M  SMT   1  OCH3 
M  SVB   1 31     2.032    0.6843 
S  SKP  8 
ID	FL5FCENSS002 
KNApSAcK_ID	C00004976 
NAME	Ombuin 3,3'-di-O-sulfate 
CAS_RN	79174-99-5 
FORMULA	C17H14O13S2 
EXACTMASS	489.987581914 
AVERAGEMASS	490.41726 
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)cc(c(OC)c2)OS(O)(=O)=O 
M  END