Mol:FL3FF8NS0008

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -1.7790    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7790   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6664   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6664    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1101   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4462   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4462    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1101    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1101   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0023    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1362    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1362    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0023    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4355    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693   -0.5095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9447    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5082    1.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1362    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6362    1.6360    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 
 17 19  1  0  0  0  0 
 13 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 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25   -2.1362      0.77 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23   -0.9447    1.0455 
S  SKP  8 
ID	FL3FF8NS0008 
KNApSAcK_ID	C00003902 
NAME	Viscidulin II 
CAS_RN	92519-93-2 
FORMULA	C17H14O7 
EXACTMASS	330.073952802 
AVERAGEMASS	330.28886 
SMILES	COc(c3)c(OC)c(O1)c(c(O)3)C(=O)C=C1c(c(O)2)c(O)ccc2 
M  END