Mol:FLIAALNI0005

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Copyright: ARM project http://www.metabolome.jp/
 28 30  0  0  0  0  0  0  0  0999 V2000
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   -0.8919    0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482    0.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2207    0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3356    0.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5606   -0.3410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3716    0.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9646    0.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9646    1.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5564    1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3728    1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0623   -1.3014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7768   -1.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  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
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 12 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  27  28
M  SBL   1  1  29
M  SMT   1 ^OCH3
M  SBV   1 29   -6.9636    4.4119
S  SKP  8
ID	FLIAALNI0005
KNApSAcK_ID	C00009511
NAME	Piscidone;5,7,3',4'-Tetrahydroxy-6'-methoxy-2'-prenylisoflavone
CAS_RN	11025-91-5
FORMULA	C21H20O7
EXACTMASS	384.120902994
AVERAGEMASS	384.37929999999994
SMILES	c(O)(c1CC=C(C)C)c(O)cc(c1C(C(=O)2)=COc(c3)c2c(cc(O)3)O)OC
M  END

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