Mol:FLIAAANI0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
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   -2.8957    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3394   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7831    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7831    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3394    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.6705    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.1144   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.4804   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0752   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0752   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4804    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2268   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.4520    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6694   -1.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6694    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2636   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8578    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4520   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8578    0.9020    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 
S  SKP  8 
ID	FLIAAANI0005 
KNApSAcK_ID	C00009831 
NAME	Isowighteone;3'-Prenylgenistein;5,7,4'-Trihydroxy-3'-prenylisoflavone 
CAS_RN	68436-47-5 
FORMULA	C20H18O5 
EXACTMASS	338.115423686 
AVERAGEMASS	338.35392 
SMILES	c(c3)(cc(c(O)c3)CC=C(C)C)C(C(=O)1)=COc(c2)c1c(cc(O)2)O 
M  END