Mol:FL5FECNSS007

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  29  30 
M  SBL   3  1  31 
M  SMT   3  OCH3 
M  SVB   3 31    1.0767    1.6823 
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   -0.0511   -1.0439 
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   -3.2035   -0.7276 
S  SKP  8 
ID	FL5FECNSS007 
KNApSAcK_ID	C00004983 
NAME	Jaceidin 4'-O-sulfate 
CAS_RN	92446-23-6 
FORMULA	C18H16O11S 
EXACTMASS	440.041332044 
AVERAGEMASS	440.37904000000003 
SMILES	c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c2)cc(c(OS(O)(=O)=O)c2)OC)OC)=O 
M  END