Mol:FL2F1ANI0006

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.1306    0.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1306   -0.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5743   -0.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0180   -0.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0180    0.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5743    0.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383   -0.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0946   -0.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0946    0.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383    0.4717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6507    0.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2177    0.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    0.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    1.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2177    1.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6507    1.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383   -1.3568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7222    0.4921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3514    1.4535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6867   -0.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2416   -0.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7965   -0.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7965   -1.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3514   -0.4925    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
  9 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
  7 17  2  0  0  0  0
 18  1  1  0  0  0  0
 14 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
S  SKP  8
ID	FL2F1ANI0006
KNApSAcK_ID	C00008247
NAME	Bavachin
CAS_RN	19879-32-4
FORMULA	C20H20O4
EXACTMASS	324.136159128
AVERAGEMASS	324.37039999999996
SMILES	Oc(c1)ccc(C(C3)Oc(c2C(=O)3)cc(O)c(c2)CC=C(C)C)c1
M  END

</pre>