Mol:FLID1CNS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 26  0  0  0  0  0  0  0  0999 V2000 
   -1.5494    1.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5494    0.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0490    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5485    0.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5485    1.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0490    1.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0481    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4524    0.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4524    1.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0481    1.4762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9906    1.4419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0721   -0.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6468   -0.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8818    0.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9864   -0.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5611   -0.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7962   -0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4565    0.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1466    1.0102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8444   -0.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9906   -1.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3340   -1.0637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0485   -1.4762    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 
  1 11  1  0  0  0  0 
  7 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14  8  1  0  0  0  0 
 13 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 14  1  0  0  0  0 
  8 19  1  6  0  0  0 
  7 20  1  6  0  0  0 
 16 21  1  0  0  0  0 
 15 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  25 
M  SMT   1 ^OCH3 
M  SBV   1 25   -7.7561    5.6194 
S  SKP  8 
ID	FLID1CNS0002 
KNApSAcK_ID	C00002552 
NAME	(-)-Nissolin 
CAS_RN	73340-42-8 
FORMULA	C16H14O5 
EXACTMASS	286.084123558 
AVERAGEMASS	286.27936 
SMILES	COc(c(O)4)c(O1)c(cc4)C([H])(C2)C([H])1c(c3)c(cc(O)c3)O2 
M  END