Mol:FL5FACGL0002

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

FL5FACGL0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 42 46  0  0  0  0  0  0  0  0999 V2000
   -3.2031    1.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2031    0.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5019    0.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8007    0.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8007    1.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5019    1.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0994    0.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3982    0.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3982    1.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0994    1.9686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0994   -0.4413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3027    1.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0175    1.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7322    1.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7322    2.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0175    3.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3027    2.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9041    1.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3950    0.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5019   -0.4412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    3.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7560   -0.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0214   -0.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545   -1.2273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0214   -2.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6583   -2.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7104   -0.0818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1522   -2.1493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4175   -3.2246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1864    0.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8117   -0.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8997   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5304    0.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2925    0.7773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8117    0.2422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8997    0.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0175    4.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0538   -2.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2987   -4.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8997   -0.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9041   -1.1839    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  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 15  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  1  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 22 28  1  0  0  0  0
 27 29  1  0  0  0  0
 26 30  1  0  0  0  0
 23 19  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 31  1  0  0  0  0
 32 36  1  0  0  0  0
 33 37  1  0  0  0  0
 28 31  1  0  0  0  0
 16 38  1  0  0  0  0
 39 40  1  0  0  0  0
 25 39  1  0  0  0  0
 41 42  1  0  0  0  0
 33 41  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  44
M  SMT   1 ^ CH2OH
M  SBV   1  44    0.0752    0.7468
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  41  42
M  SBL   2  1  46
M  SMT   2  CH2OH
M  SBV   2  46    0.0000    0.6641
S  SKP  5
ID	FL5FACGL0002
FORMULA	C26H28O16
EXACTMASS	596.137734848
AVERAGEMASS	596.49092
SMILES	c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)OC(O2)C(C(O)C(C(CO)2)O)OC(C(O)1)OCC1(O)CO)=O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox