Mol:FLIDWXNS0010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 28  0  0  0  0  0  0  0  0999 V2000 
   -2.4612    0.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4612    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9049   -0.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3486    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3486    0.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9049    1.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7923   -0.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2359    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2359    0.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7923    1.1794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3201   -0.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3201   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9149   -1.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5097   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5097   -0.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9149    0.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7864   -0.7918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9149   -1.8215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9049    1.8215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1039    0.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8184   -0.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3757   -1.2920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2418   -1.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8184    1.4770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3183    2.3431    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 
 13 18  1  0  0  0  0 
  6 19  1  0  0  0  0 
 15 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 
  1 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
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   -2.8184     1.477 
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    1.7467   -0.9983 
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    2.1039    0.2379 
S  SKP  8 
ID	FLIDWXNS0010 
KNApSAcK_ID	C00009702 
NAME	Bryacarpene 1;4,10-Dihydroxy-3,8,9-trimethoxypterocarpene 
CAS_RN	55306-14-4 
FORMULA	C18H16O7 
EXACTMASS	344.089602866 
AVERAGEMASS	344.31543999999997 
SMILES	c(c4OC)c(c3c(c4OC)O)c(c(o3)1)COc(c(O)2)c1ccc2OC 
M  END