Mol:FLIAE8NS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -1.6996    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6996    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1433    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5870    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5870    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1433    1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0307    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5256    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5256    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0307    1.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0817    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0817   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6765   -0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2713   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2713    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6765    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3105    1.3267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6881    0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3105    0.2874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0307   -0.4774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5797    0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8652   -0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9736    1.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6881    0.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2591   -1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9736   -1.4494    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 
  1 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19  2  1  0  0  0  0 
  7 20  2  0  0  0  0 
  3 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 16 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 13 25  1  0  0  0  0 
 25 26  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  SBV   1 24   -7.2056    4.3502 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  26 
M  SMT   2 OCH3 
M  SBV   2 26   -6.4721    5.0948 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  25  26 
M  SBL   3  1  28 
M  SMT   3 OCH3 
M  SBV   3 28   -7.1866    4.3392 
S  SKP  8 
ID	FLIAE8NS0004 
KNApSAcK_ID	C00009819 
NAME	Hemerocallone;5,2',5'-Trimethoxy-6,7-methylenedioxyisoflavone 
CAS_RN	82869-19-0 
FORMULA	C19H16O7 
EXACTMASS	356.089602866 
AVERAGEMASS	356.32614 
SMILES	c(c34)c(c1c(c3OCO4)OC)OC=C(c(c(OC)2)cc(OC)cc2)C1=O 
M  END