Mol:FLIABBNP0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.6036    0.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6036    0.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0473   -0.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4910    0.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4910    0.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0473    1.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0653   -0.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6216    0.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6216    0.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0653    1.1598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1777   -0.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1777   -0.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7725   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3672   -0.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3672   -0.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7725    0.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0653   -0.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1597    1.1597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7162    0.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7162    0.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1599   -0.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0579    1.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3187    0.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2332   -1.3116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0992   -1.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4837   -0.2855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7693   -0.6980    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
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21  2  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 14 24  1  0  0  0  0
 24 25  1  0  0  0  0
  3 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  26  27
M  SBL   2  1  29
M  SMT   2  OCH3
M  SVB   2 29   -1.4837   -0.2855
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    2.6042   -1.0179
S  SKP  8
ID	FLIABBNP0001
KNApSAcK_ID	C00009504
NAME	Alpinumisoflavone dimethyl ether
CAS_RN	34086-56-1
FORMULA	C22H20O5
EXACTMASS	364.13107375
AVERAGEMASS	364.3912
SMILES	c(c1)c(ccc1C(=C4)C(c(c2OC)c(O4)cc(O3)c(C=CC3(C)C)2)=O)OC
M  END

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