Mol:FLIC1LNI0001

Revision as of 09:00, 7 October 2008

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Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.0045    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0045    1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482    0.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8919    1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8919    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3356    0.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3356    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7768    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7768    0.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3716   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9664    0.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9664    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3716    1.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5606    2.1854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5606   -0.1289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3716   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9658   -1.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9658   -1.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3728   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5588   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0623    0.2836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7768   -0.1289    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
 14 18  1  0  0  0  0
 13 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
 12 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  24  25
M  SBL   1  1  26
M  SMT   1 ^OCH3
M  SBV   1 26   -5.9117    3.7901
S  SKP  8
ID	FLIC1LNI0001
KNApSAcK_ID	C00009727
NAME	2'-O-Methylphaseollidinisoflavan
CAS_RN	56257-28-4
FORMULA	C21H24O4
EXACTMASS	340.167459256
AVERAGEMASS	340.41285999999997
SMILES	C(c(c1OC)c(ccc(C(C2)Cc(c3)c(cc(O)c3)O2)1)O)C=C(C)C
M  END

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