Mol:FLIA3ANS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 25  0  0  0  0  0  0  0  0999 V2000 
   -2.2228    0.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2228   -0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6665   -0.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1102   -0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1102    0.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6665    0.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5539   -0.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0024   -0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0024    0.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5539    0.9473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5585   -0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5585   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1533   -1.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7481   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7481   -0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1533    0.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5480   -1.0238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8000    1.5757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4389    1.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7001    1.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6141   -1.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4802   -2.0241    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 
  7 17  2  0  0  0  0 
  1  2  1  0  0  0  0 
  6 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20  1  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24    1.9857   -1.2303 
S  SKP  8 
ID	FLIA3ANS0003 
KNApSAcK_ID	C00009820 
NAME	Maximaisoflavone H;4'-Methoxy-7,8-methylenedioxyisoflavone 
CAS_RN	97165-42-9 
FORMULA	C17H12O5 
EXACTMASS	296.068473494 
AVERAGEMASS	296.27418 
SMILES	COc(c4)ccc(c4)C(=C3)C(=O)c(c1)c(O3)c(O2)c(OC2)c1 
M  END