Mol:FLIDBBNI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
   -1.6282    1.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6282    0.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0719    0.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5156    0.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5156    1.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0719    1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0407    0.1585    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.5970    0.4797    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.5970    1.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0407    1.4432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1531    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1531   -0.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7479   -0.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3427   -0.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3427    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7479    0.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0465   -0.5279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1845    1.4432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1843    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1843   -0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7392   -0.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7392   -1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2941   -0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5083   -0.0020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7939   -0.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2087   -1.0282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0748   -1.5282    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 
  1 18  1  0  0  0  0 
  2 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
  3 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 14 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  26  27 
M  SBL   2  1  29 
M  SMT   2  OCH3 
M  SVB   2 29    2.5796   -0.7344 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27   -1.5083   -0.0020 
S  SKP  8 
ID	FLIDBBNI0001 
KNApSAcK_ID	C00009659 
NAME	Edulenol;3-Hydroxy-1,9-dimethoxy-2-prenylpterocarpan 
CAS_RN	37706-55-1 
FORMULA	C22H24O5 
EXACTMASS	368.162373878 
AVERAGEMASS	368.42296000000005 
SMILES	c(c4)(c(c(OC)c(c4O)CC=C(C)C)3)OCC(C31)c(c2)c(cc(c2)OC)O1 
M  END