Mol:FL7AEAGL0001

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

FL7AEAGL0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 42 46  0  0  0  0  0  0  0  0999 V2000
   -2.0055    1.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0055    1.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2911    0.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5766    1.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5766    1.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2911    2.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1379    0.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8523    1.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8523    1.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1379    2.3726    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    1.6289    2.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3433    1.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0578    2.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0578    3.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3433    3.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6289    3.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6980    3.6031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5855    2.2950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2911   -0.0401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5025    0.7597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5936   -1.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2165   -1.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5823   -0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2741   -0.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4639   -0.0288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0980   -0.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4021   -0.6070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7639   -1.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2105   -1.8516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7934   -0.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2658   -1.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7548   -2.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759   -3.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3165   -2.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4985   -2.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1772   -2.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9367   -2.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6980   -3.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3892   -2.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7926   -3.6047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4573   -3.6459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6610    0.7567    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  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
 23 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  1  0  0  0
 35 34  1  1  0  0  0
 36 35  1  1  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 33 38  1  0  0  0  0
 32 39  1  0  0  0  0
 34 40  1  0  0  0  0
 35 41  1  0  0  0  0
 31 36  1  0  0  0  0
 24 20  1  0  0  0  0
  2 42  1  0  0  0  0
M  CHG  1  10   1
S  SKP  5
ID	FL7AEAGL0001
FORMULA	C27H31O15
EXACTMASS	595.166295322
AVERAGEMASS	595.52604
SMILES	O(C1C)C(OCC(O2)C(O)C(C(O)C(Oc(c3)c(c(c5)ccc(O)c5)[o+1]c(c4)c(c(c(c4O)O)O)3)2)O)C(C(O)C(O)1)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox