Mol:FLIFHXNF0009

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 35  0  0  0  0  0  0  0  0999 V2000
   -1.8722    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8722   -0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3159   -0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7596   -0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7596    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3159    0.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2033   -0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3530   -0.4174    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3530    0.2250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2033    0.5462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9091   -0.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9091   -1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5039   -1.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0987   -1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0987   -0.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5039   -0.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2033   -1.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5309    0.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9093    0.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3530   -1.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4495    1.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0883    1.2417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3496    0.6548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4094    1.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0890    2.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0501    1.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3159   -1.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0987   -1.4252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0987   -1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0865   -1.9402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8010   -2.3527    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
  7 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
  8 20  1  0  0  0  0
  1  2  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  1  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
  3 27  1  0  0  0  0
 14 28  1  0  0  0  0
 28 29  1  0  0  0  0
 13 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  30  31
M  SBL   2  1  34
M  SMT   2  OCH3
M  SVB   2 34    1.0865   -1.9402
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  28  29
M  SBL   1  1  32
M  SMT   1  OCH3
M  SVB   1 32    2.3356   -1.6315
S  SKP  8
ID	FLIFHXNF0009
KNApSAcK_ID	C00009592
NAME	Villosinol;12a-Hydroxysumatrol
CAS_RN	60077-63-6
FORMULA	C23H22O8
EXACTMASS	426.13146768
AVERAGEMASS	426.41598000000005
SMILES	c(c(O)2)c(c1c(O5)c(C(C(C45)(c(c3)c(OC4)cc(c3OC)OC)O)=O)2)OC(C(C)=C)C1
M  END

</pre>