Mol:FLIBBCNP0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.2871    1.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2871    0.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7308    0.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1745    0.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1745    1.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7308    1.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6181    0.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0618    0.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0618    1.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6181    1.8209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4942    0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4942   -0.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0890   -0.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6838   -0.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6838    0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0890    0.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8432    1.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6181   -0.1092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2780   -0.4936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0890   -1.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6832   -1.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2780    0.8794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2780   -1.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2780   -1.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8432   -0.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1672    0.3757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4527   -0.0368    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  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
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  7 18  2  0  0  0  0
 14 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  2  0  0  0  0
 15 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 19  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  3 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  26  27
M  SBL   1  1  29
M  SMT   1 OCH3
M  SBV   1 29   -5.8750    5.3198
S  SKP  8
ID	FLIBBCNP0001
KNApSAcK_ID	C00009964
NAME	Glycyrrhisoflavanone
CAS_RN	116709-69-4
FORMULA	C21H20O6
EXACTMASS	368.125988372
AVERAGEMASS	368.37989999999996
SMILES	COc(c4)c(c(cc(O)4)1)C(C(c(c2)cc(C=3)c(OC(C3)(C)C)c(O)2)CO1)=O
M  END

</pre>