Mol:FL4DACGS0009

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

FL4DACGS0009.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
   -3.4024   -0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6881   -1.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9738   -0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9738   -0.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6881    0.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4024   -0.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2596   -1.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5453   -0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5453   -0.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2596    0.2412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2596   -2.1267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2496    0.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9746   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6995    0.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6995    1.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9746    1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2496    1.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0203    0.2227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0967   -1.7867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    1.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6881   -2.2322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9746    2.3323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310   -1.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7186   -1.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5118   -1.6393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3099   -1.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9416   -1.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9291   -1.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4694   -1.2344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5046   -0.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5870   -1.2383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0406   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0203   -2.3323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  1  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
  6 18  1  0  0  0  0
  8 19  1  6  0  0  0
 15 20  1  0  0  0  0
  2 21  1  0  0  0  0
 16 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  1  0  0  0
 27 26  1  1  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 23 29  1  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  0  0  0  0
 24 19  1  0  0  0  0
 32 33  1  0  0  0  0
 26 32  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  32  33
M  SBL   1  1  36
M  SMT   1 CH2OH
M  SBV   1  36   -0.7308   -0.0992
S  SKP  5
ID	FL4DACGS0009
FORMULA	C21H22O12
EXACTMASS	466.111126168
AVERAGEMASS	466.39218
SMILES	O(C(C(=O)3)C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C(O)C1O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox