Mol:FLII1CNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.8752   -0.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8752    0.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3218    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7683    0.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7683   -0.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3218   -0.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3848   -0.2362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0818    0.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3848    0.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4325    0.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6862   -0.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1935   -0.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4472    0.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1935    0.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6862    0.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4332   -0.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2149    0.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4828    0.0779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4602    0.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7683    0.1565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828   -0.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  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 10  1  0  0  0  0
 11 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  22
M  SMT   2  OCH3
M  SVB   2 22    1.7683    0.1565
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  20
M  SMT   1  OCH3
M  SVB   1 20   -2.4828    0.0779
S  SKP  8
ID	FLII1CNS0001
KNApSAcK_ID	C00002409
NAME	Sainfuran
CAS_RN	90664-32-7
FORMULA	C16H14O5
EXACTMASS	286.084123558
AVERAGEMASS	286.27936
SMILES	COc(c3)cc(O)c(c3)c(c1)oc(c2)c(cc(O)c(OC)2)1
M  END

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