Mol:FLIC1LNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -1.9047    0.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9047    0.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4043    0.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9038    0.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9038    0.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4043    1.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4034    0.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0971    0.3804    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    0.0971    0.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4034    1.2472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5972    0.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5972   -0.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0613   -0.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5254   -0.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5254    0.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0613    0.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3459    1.2129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0613   -1.2472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4518    0.6289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3914   -0.9443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2574   -1.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2722   -1.0969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1735   -1.9921    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  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 
  1 17  1  0  0  0  0 
 13 18  1  0  0  0  0 
  8 19  1  1  0  0  0 
 14 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 12 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  24 
M  SMT   2  OCH3 
M  SVB   2 24   -0.1173   -0.2993 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22    1.6314   -0.6506 
S  SKP  8 
ID	FLIC1LNS0001 
KNApSAcK_ID	C00002551 
NAME	(-)-Mucronulatol 
CAS_RN	20878-97-1 
FORMULA	C17H18O5 
EXACTMASS	302.115423686 
AVERAGEMASS	302.32182 
SMILES	COc(c3)c(O)c(OC)c(c3)[C@@]([H])(C1)Cc(c2)c(cc(O)c2)O1 
M  END