Mol:FLIF3LNF0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 34  0  0  0  0  0  0  0  0999 V2000
   -1.3867    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3867    0.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9209   -0.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4552    0.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4552    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9209    0.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0106   -0.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4764    0.1522    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4764    0.6900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0106    0.9589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9422   -0.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4080    0.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4080    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9422    0.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9422   -0.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4080   -0.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8737   -0.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8737   -0.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5198   -1.4496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0547   -1.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2734   -1.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4764    1.4120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4764   -0.4858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1901   -0.4036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9537    0.8419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2734    0.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9040   -0.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6881    1.5058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2964    2.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  9 22  1  1  0  0  0
  8 23  1  1  0  0  0
  7 24  2  0  0  0  0
  1 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27  2  1  0  0  0  0
  6 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  28  29
M  SBL   1  1  33
M  SMT   1  OCH3
M  SVB   1 33   -0.6881    1.5058
S  SKP  8
ID	FLIF3LNF0001
KNApSAcK_ID	C00002556
NAME	Pachyrrhizone
CAS_RN	42485-00-7
FORMULA	C20H14O7
EXACTMASS	366.073952802
AVERAGEMASS	366.32096
SMILES	O(C)c(c26)c(o1)c(cc2C(=O)[C@@]([C@]5([H])O6)([H])c(c3)c(OC5)cc(O4)c(OC4)3)cc1
M  END

</pre>