Mol:FL4DACGS0029

From Metabolomics.JP
Jump to: navigation, search

FL4DACGS0029.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -2.8542    0.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1323    1.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8630   -0.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1485   -0.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4312   -0.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4199    0.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7164   -0.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0033   -0.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0101    0.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6981    0.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7502    0.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7591    1.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4799    2.2295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1900    1.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1835    0.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4619    0.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7164   -1.3029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5641    1.0306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6935   -0.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8753    0.5852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8611    2.1971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5906   -0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5985   -1.1605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5906   -0.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1142   -1.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0359   -1.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5985   -0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0946   -1.7370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0359   -1.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5641   -2.2295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1485   -1.3225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  1  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  2  1  0  0  0  0 
  5  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  6  1  0  0  0  0 
  9 11  1  6  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 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
  8 19  1  1  0  0  0 
 15 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
 27 22  1  0  0  0  0 
 26 22  1  0  0  0  0 
 25 27  1  0  0  0  0 
 27 23  1  0  0  0  0 
 25 28  1  1  0  0  0 
 26 28  1  1  0  0  0 
 22 24  1  0  0  0  0 
 26 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
 19 25  1  0  0  0  0 
  4 31  1  0  0  0  0 
S  SKP  5 
ID	FL4DACGS0029 
FORMULA	C20H20O11 
EXACTMASS	436.100561482 
AVERAGEMASS	436.3662 
SMILES	O(C(C(=O)3)C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C1O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox