Mol:FLII1LNP0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.5795    0.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5795    0.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0232    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4669    0.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4669    0.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0232    1.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9106    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3543    0.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9106    1.3158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2018    0.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2018   -0.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966   -0.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3913   -0.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3913    0.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966    0.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9048   -0.6554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1358    1.3158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9861   -0.9991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5809   -0.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5809    0.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9861    0.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5809   -1.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1358   -0.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0937    0.9586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5471    1.8499    0.0000 C   0  0  0  0  0  0  0  0  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  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
  7 16  1  0  0  0  0
  1  2  1  0  0  0  0
 17  1  1  0  0  0  0
 11 16  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 14  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  24  25
M  SBL   1  1  27
M  SMT   1  OCH3
M  SVB   1 27    1.0937    0.9586
S  SKP  8
ID	FLII1LNP0001
KNApSAcK_ID	C00009808
NAME	Neoraufurane
CAS_RN	53734-76-2
FORMULA	C20H18O5
EXACTMASS	338.115423686
AVERAGEMASS	338.35392
SMILES	COc(c43)c(c1cc(OC(C=C4)(C)C)3)cc(c(c2)c(O)cc(O)c2)o1
M  END

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