Mol:FLIC1LNS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
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   -0.4034   -0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0971    0.2883    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    0.0971    0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4034    1.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5972   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5972   -0.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0613   -0.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5254   -0.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5254   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0613    0.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3459    1.1209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8042    0.9954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2688   -1.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1348   -1.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3914   -1.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2574   -1.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
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 19 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23    1.6314   -0.7426 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21   -0.1173   -0.3913 
S  SKP  8 
ID	FLIC1LNS0002 
KNApSAcK_ID	C00002570 
NAME	(-)-Sativan 
CAS_RN	41743-86-6 
FORMULA	C17H18O4 
EXACTMASS	286.120509064 
AVERAGEMASS	286.32241999999997 
SMILES	COc(c3)cc(OC)c(c3)[C@]([H])(C1)Cc(c2)c(cc(O)c2)O1 
M  END