Mol:FLIAADNI0002

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Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
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    1.6092   -1.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0144   -0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9178    0.1941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3615    1.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
  6 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
 15 26  1  0  0  0  0
 26 27  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   -4.7540    4.8361
S  SKP  8
ID	FLIAADNI0002
KNApSAcK_ID	C00009901
NAME	5,7,4'-Trihydroxy-3'-methoxy-8-prenylisoflavone
CAS_RN	120727-35-7
FORMULA	C21H20O6
EXACTMASS	368.125988372
AVERAGEMASS	368.37989999999996
SMILES	c(c3)(O)c(C1=O)c(c(CC=C(C)C)c3O)OC=C(c(c2)cc(c(O)c2)OC)1
M  END

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