Mol:FLIECANI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
   -1.3849    1.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3849    0.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8286    0.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2723    0.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2723    1.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8286    1.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2840    0.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8403    0.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8403    1.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2840    1.3239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3964    0.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3964   -0.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9911   -0.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5859   -0.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5859    0.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9911    0.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2898   -0.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1801   -0.9905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3964    1.3238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9330    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9330   -0.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5566   -1.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5566   -1.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1801   -0.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8286   -0.6029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7422    1.6215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2422    2.4875    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  2  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  1  0  0  0  0 
  1  2  1  0  0  0  0 
 12 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
  9 19  2  0  0  0  0 
  2 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
  3 25  1  0  0  0  0 
  1 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  29 
M  SMT   1  OCH3 
M  SVB   1 29   -1.7422    1.6215 
S  SKP  8 
ID	FLIECANI0001 
KNApSAcK_ID	C00009777 
NAME	Glycyrol;Neoglycyrol;1,9-Dihydroxy-3-methoxy-2-prenylcoumestan 
CAS_RN	23013-84-5 
FORMULA	C21H18O6 
EXACTMASS	366.110338308 
AVERAGEMASS	366.36402 
SMILES	COc(c(CC=C(C)C)4)cc(c3c4O)OC(c(c23)c(c1)c(o2)cc(O)c1)=O 
M  END