Mol:FL3FF8NS0012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -1.7790    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7790   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6664   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6664    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227    0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1101   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4462   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4462    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1101    0.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1101   -1.4588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0023    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1362    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1362    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693    1.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0023    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227   -1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1382   -0.1643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8527   -0.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9447    0.8998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5082    1.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1362    0.6243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6362    1.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6451    1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1452    2.4662    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 
 13 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  6 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  1 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 17 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  25  26 
M  SBL   4  1  27 
M  SMT   4  OCH3 
M  SVB   4 27    0.6451    1.6001 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  25 
M  SMT   3  OCH3 
M  SVB   3 25   -2.1362    0.6243 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23   -0.9447    0.8998 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21    1.1382   -0.1643 
S  SKP  8 
ID	FL3FF8NS0012 
KNApSAcK_ID	C00003906 
NAME	Altisin 
CAS_RN	57765-78-3 
FORMULA	C19H18O7 
EXACTMASS	358.10525293 
AVERAGEMASS	358.34202000000005 
SMILES	c(c1C(O2)=CC(c(c(O)3)c2c(c(OC)c3)OC)=O)(OC)cccc1OC 
M  END