Mol:FL2FACNI0012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -3.9270   -0.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9197   -1.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1959   -1.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4911   -1.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4913   -0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2088    0.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7653   -1.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0622   -1.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0680   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7768    0.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3535    0.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3554   -0.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0698    0.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0692    1.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3550    1.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3593    1.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7653   -2.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6415    0.1843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1959   -2.2787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7837    1.4546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3550    2.2787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4980    1.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2126    1.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9270    1.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9270    0.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6415    1.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  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 
  9 11  1  6  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 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 20 14  1  0  0  0  0 
 15 21  1  0  0  0  0 
 20 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 
S  SKP  8 
ID	FL2FACNI0012 
KNApSAcK_ID	C00014165 
NAME	Monotesone A;5,7,3'-Trihydroxy-4'-O-prenylflavanone 
CAS_RN	208596-55-8 
FORMULA	C20H20O6 
EXACTMASS	356.125988372 
AVERAGEMASS	356.3692 
SMILES	c(c1)c(c(O)cc1C(C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)OCC=C(C)C 
M  END