Mol:FLIA1ANI0005

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Copyright: ARM project http://www.metabolome.jp/
 30 32  0  0  0  0  0  0  0  0999 V2000
   -0.0105    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0105    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5458    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1021    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1021    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5458    1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6584    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2147    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2147    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6584    1.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7708    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7708   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3656   -1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3656    0.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6584   -0.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5666    1.2950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1120    0.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6574    1.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2016    0.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2016    0.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7446    1.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2876    0.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8294    1.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3712    0.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3712    0.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9118    1.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8264   -1.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6925   -1.6763    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  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  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
  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 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 14 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  31
M  SMT   1  OCH3
M  SVB   1 31    4.1973   -0.8826
S  SKP  8
ID	FLIA1ANI0005
KNApSAcK_ID	C00009844
NAME	7-Geranylformononetin;4'-Methoxy-7-geranyloxyisoflavone
CAS_RN	130289-24-6
FORMULA	C26H28O4
EXACTMASS	404.19875938399997
AVERAGEMASS	404.49812
SMILES	C(CC=C(C)C)C(=CCOc(c1)cc(O2)c(C(=O)C(c(c3)ccc(OC)c3)=C2)c1)C
M  END

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