Mol:FLIDWXNS0009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 29  0  0  0  0  0  0  0  0999 V2000 
   -2.2358    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2358    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6795   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1232    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1232    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6795    1.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5669   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0106    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0106    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5669    1.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5455   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5455   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1403   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7350   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7350   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1403    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5611   -0.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3882   -1.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7919   -0.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3882   -0.0638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7919   -0.2760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5931    1.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0931    2.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1159   -0.4366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4015   -0.8491    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 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 15  1  0  0  0  0 
  2 21  1  0  0  0  0 
  1 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  3 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  28 
M  SMT   2  OCH3 
M  SVB   2 28   -2.1159   -0.4366 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  26 
M  SMT   1  OCH3 
M  SVB   1 26   -2.5931    1.3062 
S  SKP  8 
ID	FLIDWXNS0009 
KNApSAcK_ID	C00009701 
NAME	Leiocalycin;2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxypterocarpene 
CAS_RN	35930-38-2 
FORMULA	C18H14O7 
EXACTMASS	342.073952802 
AVERAGEMASS	342.29956000000004 
SMILES	c(c45)c(o3)c(cc4OCO5)c(c32)COc(c12)cc(c(c1OC)O)OC 
M  END