Mol:FL5FECNSS006

Latest revision as of 09:00, 14 March 2009

 
 
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  28  29 
M  SBL   2  1  30 
M  SMT   2  OCH3 
M  SVB   2 30    1.6695    1.6934 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  28 
M  SMT   1  OCH3 
M  SVB   1 28   -2.6107   -0.7165 
S  SKP  8 
ID	FL5FECNSS006 
KNApSAcK_ID	C00004982 
NAME	Spinacetin 3-O-sulfate 
CAS_RN	111348-30-2 
FORMULA	C17H14O11S 
EXACTMASS	426.02568198 
AVERAGEMASS	426.35246000000006 
SMILES	COc(c(O)3)cc(cc3)C(O1)=C(OS(O)(=O)=O)C(=O)c(c(O)2)c(cc(O)c(OC)2)1 
M  END