Mol:FLIBALNP0006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -2.0500    0.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0500   -0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4937   -0.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9374   -0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9374    0.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4937    0.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3811   -0.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1752   -0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1752    0.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3811    0.7705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7313   -0.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7313   -1.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3261   -1.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9209   -1.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9209   -0.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3261   -0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3811   -1.1563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4937   -1.1563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5156   -1.5443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6063    0.7705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1626    0.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1626   -0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6063   -0.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1626    1.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7035    0.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5151   -0.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5151    0.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1093    0.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7035    0.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1093    1.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0168   -1.1314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7313   -1.5439    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  8 11  1  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 16  1  0  0  0  0 
 16 11  2  0  0  0  0 
  7 17  2  0  0  0  0 
  3 18  1  0  0  0  0 
 19 14  1  0  0  0  0 
 20  1  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23  2  1  0  0  0  0 
 21 24  1  0  0  0  0 
 21 25  1  0  0  0  0 
 15 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28 29  1  0  0  0  0 
 28 30  1  0  0  0  0 
 12 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  34 
M  SMT   1 ^OCH3 
M  SBV   1 34   -8.4116    2.8700 
S  SKP  8 
ID	FLIBALNP0006 
KNApSAcK_ID	C00009563 
NAME	2'-O-Methylcajanone 
CAS_RN	71765-79-2 
FORMULA	C26H28O6 
EXACTMASS	436.188588628 
AVERAGEMASS	436.49692 
SMILES	CC(C)=CCc(c(O)4)cc(c(c4)OC)C(C3)C(c(c2O3)c(O)c(C=1)c(c2)OC(C)(C)C1)=O 
M  END