Mol:FLIBALNI0007

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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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   -1.6288    0.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5162    1.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5964    1.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0401    1.4426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3421    0.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7473    0.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0401   -0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7398   -1.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2935   -0.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7473    1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2081   -1.0289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0742   -1.5289    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
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 14 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  SVB   1 28     2.579   -0.7351
S  SKP  8
ID	FLIBALNI0007
KNApSAcK_ID	C00009958
NAME	Diphysolidone;5,7,2'-Trihydroxy-4'-methoxy-6-prenylisoflavanone
CAS_RN	88899-19-8
FORMULA	C21H22O6
EXACTMASS	370.141638436
AVERAGEMASS	370.39578
SMILES	C(c(c(O)1)c(O)cc(O2)c1C(C(c(c3)c(cc(OC)c3)O)C2)=O)C=C(C)C
M  END

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