Mol:FL5FF9NS0014

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -1.7289   -0.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7289   -0.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1726   -1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6163   -0.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6163   -0.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1726    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0600   -1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4963   -0.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4963   -0.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0600    0.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0600   -1.6148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0524    0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6194   -0.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1863    0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1863    0.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6194    1.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0524    0.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1726   -1.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1726    0.8129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7179    1.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2278    1.3563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7179    1.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0862    0.4683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5863    1.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3623   -1.2928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2283   -1.7929    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  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 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 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  3 18  1  0  0  0  0 
  6 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 20 22  1  0  0  0  0 
  1 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
  8 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  25  26 
M  SBL   2  1  27 
M  SMT   2  OCH3 
M  SVB   2 27    0.6951    -0.999 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  23  24 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25   -2.0862    0.4683 
S  SKP  8 
ID	FL5FF9NS0014 
KNApSAcK_ID	C00004919 
NAME	Isognaphalin 8-acetate 
CAS_RN	98204-86-5 
FORMULA	C19H16O7 
EXACTMASS	356.089602866 
AVERAGEMASS	356.32614 
SMILES	c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC(C)=O)=O)OC)(c1)cccc1 
M  END