Mol:FL3F1CNS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 25  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 
   -2.0650    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 
  1 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  SBV   1 24   -6.6809    3.3796 
S  SKP  8 
ID	FL3F1CNS0005 
KNApSAcK_ID	C00003997 
NAME	7-Methoxy-3',4'-methylenedioxyflavone;Milleyanaflavone;2-(1,3-Benzodioxol-5-yl)-7-methoxy-4H-1-benzopyran-4-one 
CAS_RN	58996-65-9 
FORMULA	C17H12O5 
EXACTMASS	296.068473494 
AVERAGEMASS	296.27418 
SMILES	COc(c4)cc(O1)c(c4)C(=O)C=C1c(c2)cc(O3)c(OC3)c2 
M  END