Mol:FL3FF9GS0001

From Metabolomics.JP
Jump to: navigation, search

FL3FF9GS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -0.1112    0.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1112   -0.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5899   -1.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2910   -0.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2910    0.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5899    0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9921   -1.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6932   -0.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6932    0.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9921    0.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9921   -1.8988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3941    0.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1087    0.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8232    0.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8232    1.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1087    1.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3941    1.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8121    0.5192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5899   -1.8404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0693    0.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4195   -0.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4837    0.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5808    0.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2369    0.6848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0556    0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8232    0.1775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2455   -0.3133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6575   -0.6145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5899    1.2389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6917    0.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7314    0.9983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1718    1.8988    0.0000 O   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 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 18  1  0  0  0  0 
  6 29  1  0  0  0  0 
 30 31  2  0  0  0  0 
 30 32  1  0  0  0  0 
 25 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  30  31  32 
M  SBL   1  1  35 
M  SMT   1 ^COOH 
M  SBV   1  35    0.6360   -0.7455 
S  SKP  5 
ID	FL3FF9GS0001 
FORMULA	C21H18O11 
EXACTMASS	446.084911418 
AVERAGEMASS	446.36102 
SMILES	C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)cc(O)c(C(=O)3)c1OC(=C3)c(c2)cccc2)O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox