Mol:FLID2CNS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 26  0  0  0  0  0  0  0  0999 V2000 
   -2.1831    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1831    0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6268   -0.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0705    0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0705    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6268    1.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142   -0.1384    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0421    0.1827    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0421    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142    1.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5982   -0.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5982   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930   -1.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7878   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7878   -0.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930    0.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5084   -0.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7392   -0.1383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3820    0.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5403    1.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0402    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6538   -1.3251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5199   -1.8251    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  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 
  2 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 14 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25    2.0247   -1.0314 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23   -2.5403    1.4439 
S  SKP  8 
ID	FLID2CNS0002 
KNApSAcK_ID	C00009627 
NAME	2,8-Dihydroxy-3,9-dimethoxypterocarpan 
CAS_RN	76474-65-2 
FORMULA	C17H16O6 
EXACTMASS	316.094688244 
AVERAGEMASS	316.30534 
SMILES	COc(c4)c(O)cc(c34)C(O1)C(CO3)c(c2)c(cc(OC)c(O)2)1 
M  END