Mol:075a FLIE

From Metabolomics.JP
Jump to: navigation, search

075a FLIE.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
   -2.9070    2.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9070    1.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1926    1.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4781    1.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4781    2.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1926    2.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7639    1.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0494    1.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0494    2.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7639    2.7239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6648    1.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6648    0.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4287   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1926    0.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1926    1.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4287    1.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7550    0.1922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6650    2.7239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1926    0.2492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6215    2.7239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9070   -0.2204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6215    0.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4287   -1.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7142   -1.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7142   -2.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4287   -2.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0003   -2.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  2  0 
  3  4  1  0 
  4  5  2  0 
  5  6  1  0 
  6  1  2  0 
  4  7  1  0 
  7  8  2  0 
  8  9  1  0 
  9 10  1  0 
 10  5  1  0 
  8 11  1  0 
 11 12  2  0 
 12 13  1  0 
 13 14  2  0 
 15 16  2  0 
 16 11  1  0 
 12 17  1  0 
  7 17  1  0 
  2  1  1  0 
  9 18  2  0 
 15 14  1  0 
  3 19  1  0 
  1 20  1  0 
 14 21  1  0 
 21 22  1  0 
 13 23  1  0 
 23 24  1  0 
 24 25  2  0 
 25 26  1  0 
 25 27  1  0 
S  SKP  5 
ID	075a FLID 
FORMULA	C21H18O6 
EXACTMASS	366.110338308 
AVERAGEMASS	366.36402 
SMILES	CC(C)=CCc(c(OC)4)c(o1)c(cc4)c(C(=O)2)c1c(c(O)3)c(cc(O)c3)O2 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox