Mol:FL7AAIGL0024

From Metabolomics.JP
Jump to: navigation, search

FL7AAIGL0024.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 44 48  0  0  0  0  0  0  0  0999 V2000 
   -2.1330    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4185    0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4185    1.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1330    2.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8475    1.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8475    0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7039    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0105    0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0105    1.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7039    2.0530    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0 
    0.6912    2.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3743    1.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0574    2.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0574    2.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3743    3.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6912    2.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3743    3.7442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6212    3.1477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4320    1.9779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1330   -0.1765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6792    0.4293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5666   -1.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6062   -1.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2552   -0.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5052   -0.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4552   -0.2734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8063   -1.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4029   -1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0128   -1.5836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7493   -2.3350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1410   -2.4119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6413   -0.8777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9591    4.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7919    1.6196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9222   -3.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0318   -3.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1406   -2.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7230   -1.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2312   -1.9524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3399   -2.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0296   -4.3289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4807   -4.1416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8440   -2.3734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4320    1.9892    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 
  2  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  3  1  0  0  0  0 
  9 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 
 15 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
  5 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
  8 21  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 22 30  1  0  0  0  0 
 23 31  1  0  0  0  0 
 24 32  1  0  0  0  0 
 21 25  1  0  0  0  0 
 17 33  1  0  0  0  0 
 13 34  1  0  0  0  0 
 35 36  1  1  0  0  0 
 36 37  1  1  0  0  0 
 38 37  1  1  0  0  0 
 38 39  1  0  0  0  0 
 39 40  1  0  0  0  0 
 40 35  1  0  0  0  0 
 35 41  1  0  0  0  0 
 36 42  1  0  0  0  0 
 37 43  1  0  0  0  0 
 38 32  1  0  0  0  0 
 34 44  1  0  0  0  0 
M  CHG  1  10   1 
S  SKP  5 
ID	FL7AAIGL0024 
FORMULA	C28H33O16 
EXACTMASS	625.176860008 
AVERAGEMASS	625.55202 
SMILES	C(O)(C(O)1)C(COC(OC(C2Oc(c4)c([o+1]c(c5)c4c(cc5O)O)c(c3)cc(OC)c(O)c(OC)3)C(O)C(O)C(O2)CO)1)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox