Mol:FL3FDHNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -2.0021   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0021   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4458   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8895   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8895   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4458    0.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3332   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2231   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2231   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3332    0.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3332   -1.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7792    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3462   -0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9131    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9131    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3462    1.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7792    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5198   -0.0128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8619    0.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4666    1.0020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6296    1.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3440    1.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8822   -1.2954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1678   -1.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0650    0.1988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8619    0.4124    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 
 16 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  3 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
  1 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   -6.3346    3.3336 
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   -7.0544    2.5969 
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   -6.6809    3.1276 
S  SKP  8 
ID	FL3FDHNS0001 
KNApSAcK_ID	C00004002 
NAME	5,7,3'-Trimethoxy-4',5'-methylenedioxyflavone 
CAS_RN	89029-11-8 
FORMULA	C19H16O7 
EXACTMASS	356.089602866 
AVERAGEMASS	356.32614 
SMILES	O(C(c(c4)cc(c(c(OC)4)3)OCO3)=2)c(c(C(=O)C2)1)cc(OC)cc1OC 
M  END