Mol:FLID4GNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
   -2.1831    0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1831    0.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6268   -0.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0705    0.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0705    0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6268    1.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142   -0.1218    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0421    0.1994    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0421    0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142    1.1629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5982   -0.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5982   -0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930   -1.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7878   -0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7878   -0.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930    0.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5084   -0.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3820    0.2214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7392   -0.1217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6538   -1.3085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5199   -1.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7756   -1.3234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4901   -1.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5403    1.4605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0402    2.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3488    1.7359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9123    2.6356    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 
 15 18  1  0  0  0  0 
  2 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 13 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  1 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  6 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  26  27 
M  SBL   4  1  29 
M  SMT   4  OCH3 
M  SVB   4 29   -1.3488    1.7359 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  24  25 
M  SBL   3  1  27 
M  SMT   3  OCH3 
M  SVB   3 27   -2.5403    1.4605 
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    0.7756   -1.3234 
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    2.0247   -1.0148 
S  SKP  8 
ID	FLID4GNS0001 
KNApSAcK_ID	C00009636 
NAME	2,8-Dihydroxy-3,4,9,10-tetramethoxypterocarpan 
CAS_RN	76474-68-5 
FORMULA	C19H20O8 
EXACTMASS	376.11581761599996 
AVERAGEMASS	376.3573 
SMILES	c(c4O)c(c(c(c4OC)OC)1)C(O2)C(c(c3)c2c(c(c3O)OC)OC)CO1 
M  END