Mol:FL3FACCS0017

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

FL3FACCS0017.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 41 45  0  0  0  0  0  0  0  0999 V2000
   -1.1935    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1935   -0.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4892   -0.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2151   -0.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2151    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4892    0.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9195   -0.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6238   -0.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6238    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9195    0.7549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9195   -1.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4892   -1.6847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4845    0.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2267    0.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9689    0.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9689    1.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2267    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4845    1.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7107    2.1706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8598    0.7329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0746   -0.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4218   -1.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690   -0.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8811   -0.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5078   -0.2742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2129   -0.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7107   -0.5752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1884   -0.9305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0182   -1.2726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8619   -2.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6869   -2.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1084   -2.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2845   -3.0274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4184   -2.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6869   -2.5120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8619   -1.6217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2267    3.0274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8755    0.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5466    0.8491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1084   -1.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2843   -2.7288    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  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
  3 12  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  9 13  1  0  0  0  0
 16 19  1  0  0  0  0
  1 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  2  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  1  0  0  0
 34 33  1  1  0  0  0
 34 30  1  0  0  0  0
 31 35  1  0  0  0  0
 30 36  1  0  0  0  0
 34 29  1  0  0  0  0
 17 37  1  0  0  0  0
 38 39  1  0  0  0  0
 26 38  1  0  0  0  0
 40 41  1  0  0  0  0
 32 40  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  38  39
M  SBL   1  1  43
M  SMT   1 ^ CH2OH
M  SBV   1  43    0.6626   -0.6626
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  40  41
M  SBL   2  1  45
M  SMT   2  CH2OH
M  SBV   2  45    0.0000   -0.7738
S  SKP  5
ID	FL3FACCS0017
FORMULA	C26H28O15
EXACTMASS	580.1428202259999
AVERAGEMASS	580.49152
SMILES	C(O)C(C(O)5)OC(C(O)5)OC(C1O)C(c(c2O)c(cc(O3)c(C(C=C(c(c4)ccc(c4O)O)3)=O)2)O)OC(C1O)CO
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox