Mol:FLID1LNS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 24  0  0  0  0  0  0  0  0999 V2000 
   -2.1787    0.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1787    0.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6224    0.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0661    0.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0661    0.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6224    1.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5098    0.0079    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0465    0.3291    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0465    0.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5098    1.2926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6026    0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6026   -0.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1974   -1.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7921   -0.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7921    0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1974    0.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5081   -0.6786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2038    0.9714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7436    1.2975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6581   -1.1788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5241   -1.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  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  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
 19  1  1  0  0  0  0 
 12 17  1  0  0  0  0 
 14 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
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    2.0291    -0.885 
S  SKP  8 
ID	FLID1LNS0003 
KNApSAcK_ID	C00009992 
NAME	Nissicarpin;3,7-Dihydroxy-9-methoxypterocarpan 
CAS_RN	89647-68-7 
FORMULA	C16H14O5 
EXACTMASS	286.084123558 
AVERAGEMASS	286.27936 
SMILES	COc(c4)cc(O1)c(c(O)4)C(C2)C1c(c3)c(cc(O)c3)O2 
M  END