Mol:FLIDWXNS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 26  0  0  0  0  0  0  0  0999 V2000 
   -2.2825    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2825    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262    1.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0573    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0573    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136    1.3006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936   -1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936    0.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6078   -0.6705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6883   -0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6883   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6762   -1.1857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3907   -1.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6398    1.5982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1399    2.4642    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 
 13 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  1 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  22  23 
M  SBL   3  1  25 
M  SMT   3  OCH3 
M  SVB   3 25   -2.6398    1.5982 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23    0.6762   -1.1857 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21    1.9253    -0.877 
S  SKP  8 
ID	FLIDWXNS0004 
KNApSAcK_ID	C00009696 
NAME	Bryacarpene 5;3,9,10-Trimethoxypterocarpene 
CAS_RN	55306-18-8 
FORMULA	C18H16O5 
EXACTMASS	312.099773622 
AVERAGEMASS	312.31664 
SMILES	c(c1OC)(OC)ccc(c24)c(oc(c(c3OC4)ccc(OC)c3)2)1 
M  END