Mol:FLIE1ANI0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.0044    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0044    1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4481    0.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8918    1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8918    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4481    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3355    0.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2208    1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2208    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3355    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7769    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7769    0.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3717   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9665    0.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9665    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3717    1.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7769    2.1854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3338    0.2144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5607    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5607   -0.1289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3717   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9659   -1.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9659   -1.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3729   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5589   -2.1856    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  2  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  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 16  2  0  0  0  0
 16 11  1  0  0  0  0
  9 17  2  0  0  0  0
  7 18  1  0  0  0  0
 19  1  1  0  0  0  0
 12 18  1  0  0  0  0
 14 20  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
S  SKP  8
ID	FLIE1ANI0003
KNApSAcK_ID	C00010050
NAME	Isosojagol
CAS_RN	94390-15-5
FORMULA	C20H16O5
EXACTMASS	336.099773622
AVERAGEMASS	336.33804000000003
SMILES	c(O)(c4)ccc(c41)c(o3)c(c(c32)ccc(O)c(CC=C(C)C)2)C(=O)O1
M  END

</pre>