Mol:FL7AAAGA0003

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

FL7AAAGA0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 41 45  0  0  0  0  0  0  0  0999 V2000
   -3.4566    1.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4566    0.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7556    0.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0545    0.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0545    1.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7556    1.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3535    0.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6525    0.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6525    1.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3535    1.8063    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    0.0483    1.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7626    1.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4772    1.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4772    2.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7626    3.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0483    2.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1914    3.0436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1573    1.8062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7556   -0.6217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1701    0.1687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2591   -1.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7706   -2.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7100   -1.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6551   -2.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1573   -1.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2043   -1.6610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5182   -1.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3274    0.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8388   -0.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7782    0.1986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7232   -0.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2119    0.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2725    0.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4686    0.6716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6400    0.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0277    1.5027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4759    0.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9530   -0.5519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1422   -2.1387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0563   -2.6871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6359   -3.0437    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  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 20  1  0  0  0  0
M  CHG  1  10   1
S  SKP  5
ID	FL7AAAGA0003
FORMULA	C27H31O14
EXACTMASS	579.1713807
AVERAGEMASS	579.52664
SMILES	O(C1C)C(OCC(O2)C(O)C(C(C2Oc(c4c(c5)ccc(O)c5)cc(c3[o+1]4)c(cc(c3)O)O)O)O)C(C(O)C(O)1)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox