Mol:FL5FADGL0028

From Metabolomics.JP
Revision as of 09:00, 7 October 2008 by Editor (Talk | contribs)

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

FL5FADGL0028.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 54 59  0  0  0  0  0  0  0  0999 V2000
   -2.0990    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0990   -0.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3878   -0.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6767   -0.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6767    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3878    0.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345   -0.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7457   -0.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7457    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345    0.6899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345   -1.5928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4566    0.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1814    0.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9063    0.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9063    1.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1814    1.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4566    1.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8099    0.6896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3954   -0.9168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3878   -1.7734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2899   -2.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8608   -3.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6859   -2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5163   -3.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9455   -2.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1202   -2.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5779   -2.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5271   -0.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0980   -1.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9232   -0.8466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7535   -1.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1828   -0.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3574   -0.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5678   -0.4524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8444    0.0109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8865   -0.4308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3973   -0.9602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8115   -1.5999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3257   -2.9274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2517   -3.3662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5163   -3.7654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5610    1.9581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3303    1.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5273    0.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7821    1.4549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5273    2.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3303    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0756    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0105    3.4418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5158    3.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6935    2.3223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9455    0.9881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1945    2.6183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7587    3.7654    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
  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
  1 18  1  0  0  0  0
  8 19  1  0  0  0  0
  3 20  1  0  0  0  0
 21 22  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 21  1  0  0  0  0
 21 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
 30 31  1  1  0  0  0
 32 31  1  1  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 28 34  1  0  0  0  0
 33 35  1  0  0  0  0
 32 36  1  0  0  0  0
 31 37  1  0  0  0  0
 25 38  1  0  0  0  0
 37 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 29 19  1  0  0  0  0
 42 15  1  0  0  0  0
 44 43  1  1  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  1  0  0  0
 48 43  1  1  0  0  0
 47 49  1  0  0  0  0
 46 50  1  0  0  0  0
 48 51  1  0  0  0  0
 43 52  1  0  0  0  0
 44 18  1  0  0  0  0
 53 54  1  0  0  0  0
 16 53  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  53  54
M  SBL   1  1  59
M  SMT   1  OCH3
M  SBV   1  59   -0.0130   -0.6732
S  SKP  5
ID	FL5FADGL0028
FORMULA	C34H42O20
EXACTMASS	770.226943784
AVERAGEMASS	770.6852799999999
SMILES	C(O1)(OC(C(=O)6)=C(Oc(c65)cc(cc5O)OC(C4O)OC(C(O)C4O)C)c(c3)cc(c(c3)O)OC)C(C(O)C(C1COC(C2O)OC(C)C(C2O)O)O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox