Mol:FL5FADGS0032

From Metabolomics.JP
Jump to: navigation, search

FL5FADGS0032.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 58 63  0  0  0  0  0  0  0  0999 V2000 
    2.1486    1.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4341    1.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4341    2.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1486    3.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8631    2.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8631    1.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7198    1.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0053    1.9924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7092    1.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7092    0.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0053    0.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7198    0.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4236    1.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1381    1.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1381    0.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4236    0.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0053   -0.4825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8525    1.9924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4341    0.3424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4236   -0.4825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5775    3.2299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1486    4.0548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8803    4.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4639   -1.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3593   -1.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6318   -1.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2633   -0.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4400   -0.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1673   -1.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4049   -1.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8573   -1.7263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6412   -2.4038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1255   -2.2858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5205   -1.0352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2016   -3.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4212   -3.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9563   -2.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2089   -2.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9893   -2.2564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4543   -2.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9559   -2.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4584   -3.2018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5775   -3.8474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9901   -3.8837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0660   -2.9349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0810   -2.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2096   -3.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6840   -2.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4363   -2.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3078   -1.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8333   -2.1869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9550   -2.8341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7821   -3.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5005   -3.5097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6271   -3.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1254   -3.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1147   -4.4772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6067   -3.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  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  1  1  0  0  0  0 
  2  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12  7  2  0  0  0  0 
  9 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 10  1  0  0  0  0 
 14 18  1  0  0  0  0 
 11 17  2  0  0  0  0 
 12 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
  5 21  1  0  0  0  0 
  4 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 24 25  1  1  0  0  0 
 25 26  1  1  0  0  0 
 27 26  1  1  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 24  1  0  0  0  0 
 29 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 24 32  1  0  0  0  0 
 25 33  1  0  0  0  0 
 26 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 
 40 41  1  0  0  0  0 
 41 42  1  0  0  0  0 
 35 43  1  0  0  0  0 
 36 44  1  0  0  0  0 
 37 45  1  0  0  0  0 
 38 31  1  0  0  0  0 
 27 19  1  0  0  0  0 
 46 47  1  0  0  0  0 
 47 48  1  1  0  0  0 
 49 48  1  1  0  0  0 
 50 49  1  1  0  0  0 
 50 51  1  0  0  0  0 
 51 46  1  0  0  0  0 
 49 52  1  0  0  0  0 
 48 53  1  0  0  0  0 
 47 54  1  0  0  0  0 
 46 55  1  0  0  0  0 
 54 56  1  0  0  0  0 
 56 57  2  0  0  0  0 
 56 58  1  0  0  0  0 
 50 34  1  0  0  0  0 
S  SKP  5 
ID	FL5FADGS0032 
FORMULA	C36H44O22 
EXACTMASS	828.232423092 
AVERAGEMASS	828.72136 
SMILES	c(OC)(c(O)6)cc(cc6)C(O2)=C(OC(C3OC(C(O)5)OC(C(OC(C)=O)C(O)5)C)OC(COC(O4)C(C(C(O)C(CO)4)O)O)C(C3O)O)C(c(c21)c(O)cc(O)c1)=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox