Mol:FL3F2CNS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 27  0  0  0  0  0  0  0  0999 V2000 
   -2.0021    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0021   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4458   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8895   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8895    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4458    0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3332   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2231   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2231    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3332    0.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3332   -1.3837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7792    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3462    0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9131    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9131    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3462    1.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7792    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5198    0.2391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8619    0.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4666    1.2540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7166   -0.4703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0021   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0650    0.4508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8619    0.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  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 
  7 11  2  0  0  0  0 
  9 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 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
 14 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 15  1  0  0  0  0 
  2 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  1 23  1  0  0  0  0 
 23 24  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   -7.3325    3.1008 
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   -6.6809    3.3796 
S  SKP  8 
ID	FL3F2CNS0002 
KNApSAcK_ID	C00003999 
NAME	6,7-Dimethoxy-3',4'-methylenedioxyflavone;Milletenin C;2-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-4H-1-benzopyran-4-one 
CAS_RN	55303-89-4 
FORMULA	C18H14O6 
EXACTMASS	326.07903818 
AVERAGEMASS	326.30016 
SMILES	c(c(OC)4)(OC)cc(c1c4)OC(c(c3)cc(c2c3)OCO2)=CC1=O 
M  END