Mol:FLIAALNI0007

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Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
   -1.4496    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4496    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3370    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8933    1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2193    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7756    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7756    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2193    1.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3317    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3317   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9265   -0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5213   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5213    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9265    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2193   -0.4774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8933   -0.4774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0059    1.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1155   -0.8650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0057    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1155   -0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5091   -1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2236   -1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2236    1.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9381    0.6797    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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 14 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 13 26  1  0  0  0  0
 26 27  1  0  0  0  0
 16 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  26  27
M  SBL   1  1  28
M  SMT   1 OCH3
M  SBV   1 28   -5.6372    5.5561
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  28  29
M  SBL   2  1  30
M  SMT   2 OCH3
M  SBV   2 30   -4.9227    6.3116
S  SKP  8
ID	FLIAALNI0007
KNApSAcK_ID	C00009835
NAME	Viridiflorin;5,7,4'-Trihydroxy-2',5'-dimethoxy-6-prenylisoflavone
CAS_RN	97730-85-3
FORMULA	C22H22O7
EXACTMASS	398.136553058
AVERAGEMASS	398.40588
SMILES	O=C(C(c(c3)c(cc(c3OC)O)OC)=2)c(c1O)c(OC2)cc(O)c(CC=C(C)C)1
M  END

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