Mol:FLIC1LNS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.9047    0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9047    0.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4043   -0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9038    0.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9038    0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4043    1.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1 17  1  0  0  0  0
  8 18  1  6  0  0  0
 12 19  1  0  0  0  0
 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

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