Mol:FL5FECGL0007

From Metabolomics.JP
Jump to: navigation, search

FL5FECGL0007.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 55 60  0  0  0  0  0  0  0  0999 V2000 
   -3.1573    1.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1573    0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4428    0.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7283    0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7283    1.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4428    1.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0138    0.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2993    0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2993    1.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0138    1.9531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0138   -0.4593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4147    1.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1430    1.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8712    1.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8712    2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1430    3.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4147    2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8993    1.9691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4428   -0.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5992    3.2494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5527    0.2622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1430    4.0902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0798   -0.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3693   -0.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5947   -1.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3693   -1.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0798   -2.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8544   -1.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9197    0.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3978   -1.8778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9692   -3.0908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5612   -2.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4193   -3.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9425   -3.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2560   -3.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5936   -3.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0749   -3.1256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6756   -3.4425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0572   -3.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6430   -3.8155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5107   -4.0902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0594   -3.0627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4382    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0982    0.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8758    0.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6038    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4900    1.0680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0982    0.6381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8758    0.6389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8947    0.2899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9769   -0.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8758   -0.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8993   -0.7738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2272   -2.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2036   -3.0822    0.0000 O   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 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  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  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 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 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  4  3  1  0  0  0  0 
  1 18  1  0  0  0  0 
 19  3  1  0  0  0  0 
 15 20  1  0  0  0  0 
 21  8  1  0  0  0  0 
 16 22  1  0  0  0  0 
 23 24  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 23  1  0  0  0  0 
 23 29  1  0  0  0  0 
 28 30  1  0  0  0  0 
 27 31  1  0  0  0  0 
 26 32  1  0  0  0  0 
 24 21  1  0  0  0  0 
 33 34  1  1  0  0  0 
 34 35  1  1  0  0  0 
 36 35  1  1  0  0  0 
 36 37  1  0  0  0  0 
 37 38  1  0  0  0  0 
 38 33  1  0  0  0  0 
 33 39  1  0  0  0  0 
 34 40  1  0  0  0  0 
 35 41  1  0  0  0  0 
 36 42  1  0  0  0  0 
 42 32  1  0  0  0  0 
 43 44  1  1  0  0  0 
 44 45  1  1  0  0  0 
 46 45  1  1  0  0  0 
 46 47  1  0  0  0  0 
 47 43  1  0  0  0  0 
 44 48  1  0  0  0  0 
 45 49  1  0  0  0  0 
 43 29  1  0  0  0  0 
 50 51  1  0  0  0  0 
  2 50  1  0  0  0  0 
 52 53  1  0  0  0  0 
 45 52  1  0  0  0  0 
 54 55  1  0  0  0  0 
 38 54  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  50  51 
M  SBL   1  1  56 
M  SMT   1 ^OCH3 
M  SBV   1  56    0.7373    0.4257 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  52  53 
M  SBL   2  1  58 
M  SMT   2 CH2OH 
M  SBV   2  58    0.0000    0.5694 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  54  55 
M  SBL   3  1  60 
M  SMT   3 ^CH2OH 
M  SBV   3  60    0.5516   -0.6346 
S  SKP  5 
ID	FL5FECGL0007 
FORMULA	C33H40O22 
EXACTMASS	788.201122964 
AVERAGEMASS	788.6575 
SMILES	c(O)(c1)c(O)cc(C(=C(OC(O4)C(OC(C6O)OCC(O)6CO)C(O)C(O)C4COC(C(O)5)OC(CO)C(O)C5O)3)Oc(c(C3=O)2)cc(O)c(OC)c2O)c1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox