Mol:FL7AAAGL0068

From Metabolomics.JP
Revision as of 09:00, 14 March 2009 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL7AAAGL0068.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 61 67  0  0  0  0  0  0  0  0999 V2000 
    0.4495    2.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4495    1.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1640    1.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8784    1.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8784    2.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1640    2.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5929    1.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3073    1.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3073    2.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5929    2.6515    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0 
    4.0838    2.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7983    2.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5128    2.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5128    3.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7983    3.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0838    3.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1530    3.8820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1305    2.5739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1640    0.2390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9575    1.0387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4182    1.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6210    0.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2045    1.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4829    1.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2801    2.1541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6968    1.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4307    1.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6825    0.4644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0029    0.5361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2737    1.4803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8147   -1.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6208   -1.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6630   -0.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1192    0.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3132    0.0407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2710   -0.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4257   -0.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0468   -2.2392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5283   -1.8123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7725   -0.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3898   -1.5312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1356   -2.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9991   -3.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6630   -3.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4842   -2.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6207   -2.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9567   -2.6242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4625   -3.5082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -3.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3811   -3.9249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7275   -3.5818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4615    2.0733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8735    2.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4615    3.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6791    2.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0916    3.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9166    3.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.3291    2.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9166    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0916    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.1530    2.7828    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 
  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 
  4  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  5  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 
 14 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
  8 20  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 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 26 27  1  0  0  0  0 
 21 28  1  0  0  0  0 
 22 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
 18 24  1  0  0  0  0 
 31 32  1  1  0  0  0 
 32 33  1  1  0  0  0 
 34 33  1  1  0  0  0 
 34 35  1  0  0  0  0 
 35 36  1  0  0  0  0 
 36 31  1  0  0  0  0 
 33 37  1  0  0  0  0 
 31 38  1  0  0  0  0 
 32 39  1  0  0  0  0 
 36 40  1  0  0  0  0 
 40 41  1  0  0  0  0 
 42 43  1  0  0  0  0 
 43 44  1  1  0  0  0 
 45 44  1  1  0  0  0 
 46 45  1  1  0  0  0 
 46 47  1  0  0  0  0 
 47 42  1  0  0  0  0 
 43 48  1  0  0  0  0 
 42 49  1  0  0  0  0 
 44 50  1  0  0  0  0 
 45 51  1  0  0  0  0 
 41 46  1  0  0  0  0 
 34 20  1  0  0  0  0 
 52 53  1  0  0  0  0 
 53 54  2  0  0  0  0 
 55 56  2  0  0  0  0 
 56 57  1  0  0  0  0 
 57 58  2  0  0  0  0 
 58 59  1  0  0  0  0 
 59 60  2  0  0  0  0 
 60 55  1  0  0  0  0 
 58 61  1  0  0  0  0 
 52 27  1  0  0  0  0 
 55 53  1  0  0  0  0 
M  CHG  1  10   1 
S  SKP  5 
ID	FL7AAAGL0068 
FORMULA	C40H45O21 
EXACTMASS	861.245333502 
AVERAGEMASS	861.7727 
SMILES	c(c1)(OC(C7O)OC(C(O)C7O)COC(c(c6)ccc(c6)O)=O)cc([o+1]4)c(cc(c(c(c5)ccc(O)c5)4)OC(C2O)OC(COC(C3O)OC(C)C(O)C(O)3)C(O)C2O)c(O)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox