Mol:FL1CELNS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 32  0  0  0  0  0  0  0  0999 V2000 
   -2.3731    0.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3731   -0.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8168   -0.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2605   -0.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2605    0.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8168    0.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7042   -0.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1479   -0.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4082   -0.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9643   -0.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5253   -0.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0863   -0.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0863    0.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5253    0.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9643    0.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7042   -1.1464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7044    0.6395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9840    0.5170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3616   -0.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9840   -0.5224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2532   -0.8056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5388   -1.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9523   -0.8239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8183   -1.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9523    0.8239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8183    1.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8057    1.2222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2444    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0912   -0.8097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8057   -1.2222    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 11  2  0  0  0  0 
 11 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 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
  5 17  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 
  3 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 12 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 13 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 14 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 11 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  29  30 
M  SBL   5  1  31 
M  SMT   5  OCH3 
M  SVB   5 31    1.0912   -0.8097 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  27  28 
M  SBL   4  1  29 
M  SMT   4  OCH3 
M  SVB   4 29    1.8057    1.2222 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  25  26 
M  SBL   3  1  27 
M  SMT   3  OCH3 
M  SVB   3 27    2.6471    0.6477 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25    2.2899   -0.5301 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23   -2.2532   -0.8056 
S  SKP  8 
ID	FL1CELNS0004 
KNApSAcK_ID	C00007032 
NAME	6'-Hydroxy-2,3,4,5,2'-pentamethoxy-3',4'-methylenedioxychalcone 
CAS_RN	121697-05-0 
FORMULA	C21H22O9 
EXACTMASS	418.126382302 
AVERAGEMASS	418.39398 
SMILES	COc(c1OC)cc(C=CC(=O)c(c2OC)c(O)cc(O3)c(OC3)2)c(c1OC)OC 
M  END