Mol:FL5FECNS0040

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -1.7468   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7468   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1905   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6342   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6342   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1905    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0779   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4784   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4784   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0779    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0779   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0345    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6015   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1685    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1685    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6015    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0345    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3577    0.0617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7353   -0.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3577   -0.9776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1685    0.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1905   -1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3444   -1.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2105   -1.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8849    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3263    2.6397    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 
  1 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20  2  1  0  0  0  0 
 15 21  1  0  0  0  0 
  3 22  1  0  0  0  0 
  8 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 16 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  25  26 
M  SBL   2  1  28 
M  SMT   2  OCH3 
M  SVB   2 28    1.8849    1.7424 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  23  24 
M  SBL   1  1  26 
M  SMT   1  OCH3 
M  SVB   1 26    0.6887   -0.9641 
S  SKP  8 
ID	FL5FECNS0040 
KNApSAcK_ID	C00005051 
NAME	5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 
CAS_RN	93078-84-3 
FORMULA	C18H14O8 
EXACTMASS	358.068867424 
AVERAGEMASS	358.29896 
SMILES	c(c12)c(O3)c(C(C(=C3c(c4)cc(OC)c(O)c4)OC)=O)c(c1OCO2)O 
M  END