Mol:FL1C1AGS0006

From Metabolomics.JP
Jump to: navigation, search

FL1C1AGS0006.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 40 43  0  0  0  0  0  0  0  0999 V2000 
   -1.1305    2.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1305    1.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3952    1.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3400    1.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3400    2.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3952    3.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0750    1.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8082    1.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5399    1.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2705    1.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9849    1.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6994    1.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6994    2.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9849    3.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2705    2.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0750    0.7275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2226    3.1568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3952    0.7254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8653    3.2718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5820    0.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9274   -0.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2631   -0.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5947   -0.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2491    0.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9135   -0.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2126   -0.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5995   -0.4686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8464   -0.9336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6127   -1.1822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9320   -2.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1716   -2.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0026   -1.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6007   -1.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2882   -1.4918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4774   -2.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0933   -3.2254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5268   -3.2096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2549   -1.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2898   -2.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2226   -3.2719    0.0000 O   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 
  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 11  2  0  0  0  0 
 11 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 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
 17 13  1  0  0  0  0 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  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 29  1  0  0  0  0 
 24 18  1  0  0  0  0 
 30 31  1  1  0  0  0 
 31 32  1  1  0  0  0 
 33 32  1  1  0  0  0 
 33 34  1  0  0  0  0 
 34 35  1  0  0  0  0 
 35 30  1  0  0  0  0 
 30 36  1  0  0  0  0 
 31 37  1  0  0  0  0 
 32 38  1  0  0  0  0 
 33 27  1  0  0  0  0 
 39 40  1  0  0  0  0 
 35 39  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  39  40 
M  SBL   1  1  43 
M  SMT   1 ^ CH2OH 
M  SBV   1  43    0.8125    0.1433 
S  SKP  5 
ID	FL1C1AGS0006 
FORMULA	C27H32O13 
EXACTMASS	564.18429111 
AVERAGEMASS	564.53518 
SMILES	OC(C4O)C(O)C(OC4CO)OC(C1O)C(OC(Oc(c(C(C=Cc(c3)ccc(O)c3)=O)2)cc(O)cc2)C1O)C 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox