Mol:FLIBAANI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.4502    1.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4502    0.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8939    0.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3376    0.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3376    1.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8939    1.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2187    0.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7750    0.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7750    1.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2187    1.4426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3311    0.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3311   -0.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9259   -0.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5207   -0.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5207    0.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9259    0.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2187   -0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0063    1.4424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8939   -0.4843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0063    0.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0063   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5612   -0.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5612   -1.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1149   -0.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1149   -0.8719    0.0000 O   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 
 14 25  1  0  0  0  0 
S  SKP  8 
ID	FLIBAANI0001 
KNApSAcK_ID	C00009966 
NAME	(+)-Dihydrowighteone;(+)-5,7,4'-Trihydroxy-6-prenylisoflavanone 
CAS_RN	108026-27-3 
FORMULA	C20H20O5 
EXACTMASS	340.13107375 
AVERAGEMASS	340.3698 
SMILES	C(c(c(O)1)c(O)cc(O3)c1C(C(C3)c(c2)ccc(O)c2)=O)C=C(C)C 
M  END