Mol:FL3FGGNS0010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 32  0  0  0  0  0  0  0  0999 V2000 
   -2.0748   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0748   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5185   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9622   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9622   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5185    0.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4059   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1504   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1504   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4059    0.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4059   -1.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7065    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2735   -0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8405    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8405    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2735    1.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7065    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5521    0.2585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4472   -0.0128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7892    0.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3940    1.0020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7892   -0.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7811   -0.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2404    0.7229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8038    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5185   -2.1349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5185   -3.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0143    1.7192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7896    2.0014    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 
 18  1  1  0  0  0  0 
 14 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 15  1  0  0  0  0 
  2 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  6 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  3 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 16 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  28  29 
M  SBL   4  1  31 
M  SMT   4  OCH3 
M  SVB   4 31    1.5569    1.7079 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  26  27 
M  SBL   3  1  29 
M  SMT   3  OCH3 
M  SVB   3 29   -1.9549   -1.2954 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  27 
M  SMT   2  OCH3 
M  SVB   2 27   -1.2404    0.7229 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25   -2.7892   -0.7222 
S  SKP  8 
ID	FL3FGGNS0010 
KNApSAcK_ID	C00004009 
NAME	7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone 
CAS_RN	119153-15-0 
FORMULA	C20H18O9 
EXACTMASS	402.095082174 
AVERAGEMASS	402.35152 
SMILES	COc(c12)cc(C(O4)=CC(c(c43)c(OC)c(c(O)c3OC)OC)=O)cc(OCO2)1 
M  END