Mol:FLIFHZNF0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 30  0  0  0  0  0  0  0  0999 V2000 
   -2.2225    0.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2225    0.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6662   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1099    0.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1099    0.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6662    1.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5536   -0.1830    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0027    0.1381    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0027    0.7805    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.5536    1.1017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5588   -0.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5588   -0.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1536   -1.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7484   -0.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7484   -0.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1536    0.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5588    1.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5536   -0.8252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1600    0.7805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7997    1.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4386    1.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6998    1.2103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7484   -0.8697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7484   -0.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7362   -1.3847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4507   -1.7972    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  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  9 17  1  0  0  0  0 
  7 18  1  0  0  0  0 
 16 19  1  0  0  0  0 
 19 17  1  0  0  0  0 
  6 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 22  1  1  0  0  0  0 
 14 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 13 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  29 
M  SMT   2  OCH3 
M  SVB   2 29    0.7362   -1.3847 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  23  24 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27    1.9854    -1.076 
S  SKP  8 
ID	FLIFHZNF0001 
KNApSAcK_ID	C00009979 
NAME	Elliptinol 
CAS_RN	123154-79-0 
FORMULA	C20H18O6 
EXACTMASS	354.110338308 
AVERAGEMASS	354.35332 
SMILES	c(O1)(c45)c(ccc(occ5)4)C(C(c23)C1COc2cc(OC)c(OC)c3)O 
M  END