Mol:FL3FECGS0039

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

FL3FECGS0039.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 36 39  0  0  0  0  0  0  0  0999 V2000
   -0.5852   -0.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5852   -0.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1291   -1.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8435   -0.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8435   -0.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1291    0.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5577   -1.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2722   -0.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2723   -0.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5579    0.2603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5577   -2.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9863    0.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7143   -0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4424    0.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4423    1.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7142    1.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9863    1.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1304   -2.1089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3645    0.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1703    1.5212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3879    0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8162   -0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9931   -0.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1988   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7759    0.4807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4961    0.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1703    0.1343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6424   -0.3535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2468   -0.6672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9173    0.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7143    2.3618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6855    0.7020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2388   -1.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4602   -2.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5383    1.3585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9667    1.2578    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
  3 18  1  0  0  0  0
 19  1  1  0  0  0  0
 15 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
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 19  1  0  0  0  0
 26 30  1  0  0  0  0
 16 31  1  0  0  0  0
 30 32  2  0  0  0  0
 33 34  1  0  0  0  0
  2 33  1  0  0  0  0
 35 36  1  0  0  0  0
 30 35  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  33  34
M  SBL   1  1  37
M  SMT   1 ^ OCH3
M  SBV   1  37    0.6536    0.3774
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  35  36
M  SBL   2  1  39
M  SMT   2  OCH3
M  SBV   2  39   -0.3790   -0.6565
S  SKP  5
ID	FL3FECGS0039
FORMULA	C23H22O13
EXACTMASS	506.10604078999995
AVERAGEMASS	506.41298000000006
SMILES	O=C(C(O1)C(O)C(O)C(O)C(Oc(c4)c(OC)c(c(c34)C(=O)C=C(O3)c(c2)ccc(c2O)O)O)1)OC
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox