Mol:FL5FCENSS001

 
 
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  27  28 
M  SBL   2  1  29 
M  SMT   2  OCH3 
M  SVB   2 29     2.032    1.1911 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27   -2.7465    0.4142 
S  SKP  8 
ID	FL5FCENSS001 
KNApSAcK_ID	C00004975 
NAME	Ombuin 3-O-sulfate 
CAS_RN	112106-74-8 
FORMULA	C17H14O10S 
EXACTMASS	410.030767358 
AVERAGEMASS	410.35306 
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)cc(O)c(OC)c2 
M  END