Mol:FL5FECNSS008

 
 
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   -2.2053     0.409 
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    1.7367    1.6823 
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   -2.5435   -0.7276 
S  SKP  8 
ID	FL5FECNSS008 
KNApSAcK_ID	C00004984 
NAME	Veronicafolin 3-O-sulfate 
CAS_RN	74545-45-2 
FORMULA	C18H16O11S 
EXACTMASS	440.041332044 
AVERAGEMASS	440.37904000000003 
SMILES	c(c3OC)c(O1)c(c(c3OC)O)C(C(OS(O)(=O)=O)=C1c(c2)cc(OC)c(O)c2)=O 
M  END