Mol:FLIA1CNS0008

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.0313    0.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0313    0.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    0.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9187    0.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9187    0.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    1.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3624    0.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1939    0.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1939    0.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3624    1.3182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448   -0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9396   -0.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9396    0.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448    0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3624   -0.6087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2447    1.3060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0571    1.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9396   -0.6532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9396   -0.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9274   -1.1682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6419   -1.5807    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  2  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
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  22  23
M  SBL   3  1  24
M  SMT   3  OCH3
M  SVB   3 24    0.9274   -1.1682
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    2.1766   -0.8595
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   -2.0941    1.3672
S  SKP  8
ID	FLIA1CNS0008
KNApSAcK_ID	C00009405
NAME	Cabreuvin;7,3',4'-Trimethoxyisoflavone
CAS_RN	1621-61-0
FORMULA	C18H16O5
EXACTMASS	312.099773622
AVERAGEMASS	312.31664
SMILES	c(c21)(OC=C(c(c3)cc(OC)c(OC)c3)C2=O)cc(OC)cc1
M  END

</pre>