Mol:FLIAADNI0001

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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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   -2.8957    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7831    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7831    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6705    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2268    1.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0752    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4804    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4520    1.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6694   -0.8650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6694    0.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2636    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    0.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4520    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    1.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0630   -1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7775   -1.4494    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
 15 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
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   -7.0833    5.5561
S  SKP  8
ID	FLIAADNI0001
KNApSAcK_ID	C00009834
NAME	2'-Deoxypiscerythrone;5,7,4'-Trihydroxy-3'-methoxy-5'-prenylisoflavone
CAS_RN	95261-30-6
FORMULA	C21H20O6
EXACTMASS	368.125988372
AVERAGEMASS	368.37989999999996
SMILES	c(c(O)3)c(O)c(c(c3)1)C(C(c(c2)cc(c(O)c2OC)CC=C(C)C)=CO1)=O
M  END

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