Mol:FL3FADNI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 34  0  0  0  0  0  0  0  0999 V2000 
    0.1799   -0.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1799   -0.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7362   -1.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2925   -0.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2925   -0.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7362    0.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8488   -1.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4052   -0.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4052   -0.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8488    0.2116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8488   -1.5740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9612    0.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5282   -0.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0952    0.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0952    0.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5282    1.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9612    0.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3762    0.2114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0952    0.8661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5237   -1.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6087   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0538   -1.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5001   -0.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9476   -1.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0538   -1.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3950   -0.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8437   -1.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8437   -1.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1607   -0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7362   -1.7153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8116    1.7696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2530    2.6669    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 
 19 15  1  0  0  0  0 
  2 20  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 22 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 20 29  1  0  0  0  0 
 29 27  2  0  0  0  0 
  3 30  1  0  0  0  0 
 16 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  33 
M  SMT   1  OCH3 
M  SVB   1 33    3.8116    1.7696 
S  SKP  8 
ID	FL3FADNI0001 
KNApSAcK_ID	C00004035 
NAME	Cannflavin A 
CAS_RN	76735-57-4 
FORMULA	C26H28O6 
EXACTMASS	436.188588628 
AVERAGEMASS	436.49692 
SMILES	O(c23)C(=CC(c(c(O)c(c(O)c3)CC=C(CCC=C(C)C)C)2)=O)c(c1)cc(OC)c(c1)O 
M  END