Mol:FL7AAGGO0001

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

FL7AAGGO0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.6076   -0.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6076   -1.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8932   -1.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1787   -1.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1787   -0.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8932    0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4642   -1.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2502   -1.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2502   -0.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4642    0.1865    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    0.9644    0.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6925   -0.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6925    1.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9644    1.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6925    2.2882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3218    0.1864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1487    1.4475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8932   -2.2882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -1.9766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9928   -1.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6484   -2.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3108   -1.9194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9772   -2.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3218   -1.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6594   -1.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4370   -1.5818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9459   -1.2711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3026   -0.8476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1487   -0.2339    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
 15 17  1  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
 21  8  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 21  1  0  0  0  0
 13 31  1  0  0  0  0
M  CHG  1  10   1
S  SKP  5
ID	FL7AAGGS0001
FORMULA	C20H19O11
EXACTMASS	435.09273645
AVERAGEMASS	435.35826000000003
SMILES	C(O1)(Oc(c(c(c4)cc(O)c(O)c(O)4)3)cc(c2[o+1]3)c(cc(O)c2)O)C(O)C(C(O)C1)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox