Mol:FLIFWXNF0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 34  0  0  0  0  0  0  0  0999 V2000 
   -1.8894    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8894   -0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3331   -0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7768   -0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7768    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3331    0.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2205   -0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3358   -0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3358    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2205    0.5462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8919   -0.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8919   -1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4867   -1.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0815   -1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0815   -0.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4867   -0.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2205   -1.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5138    0.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8921    0.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4666    1.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1055    1.2417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -2.3667    0.6548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6055    2.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1055    2.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6055    2.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1055    2.9737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0815   -1.4252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0815   -1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0693   -1.9402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7838   -2.3527    0.0000 C   0  0  0  0  0  0  0  0  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 
  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 
 16 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19  9  1  0  0  0  0 
  1  2  1  0  0  0  0 
  6 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22  1  1  0  0  0  0 
 21 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 23 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 
 13 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  25  26 
M  SBL   3  1  29 
M  SMT   3  CH2OH 
M  SVB   3 29   -3.0329     2.201 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  29  30 
M  SBL   2  1  33 
M  SMT   2  OCH3 
M  SVB   2 33    1.0693   -1.9402 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  27  28 
M  SBL   1  1  31 
M  SMT   1  OCH3 
M  SVB   1 31    2.3185   -1.6315 
S  SKP  8 
ID	FLIFWXNF0004 
KNApSAcK_ID	C00009604 
NAME	Dehydroamorphigenin;6a,12a-Didehydroamorphigenin 
CAS_RN	29444-01-7 
FORMULA	C23H20O7 
EXACTMASS	408.120902994 
AVERAGEMASS	408.40070000000003 
SMILES	c(c14)cc(O5)c(CC5C(CO)=C)c1OC(=C(C(=O)4)3)COc(c23)cc(OC)c(c2)OC 
M  END