Mol:FL7AAAGL0048

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

FL7AAAGL0048.png 

<pre>

Copyright: ARM project http://www.metabolome.jp/
 65 71  0  0  0  0  0  0  0  0999 V2000
   -2.9408    0.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9408   -0.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2263   -1.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5118   -0.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5118    0.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2263    0.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7972   -1.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0827   -0.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0827    0.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7972    0.4505    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    0.6315    0.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3598    0.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0880    0.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0880    1.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3598    1.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6315    1.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6550    0.4504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8161    1.7116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2263   -2.0244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5808   -1.2561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0772   -4.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8248   -3.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7892   -3.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3424   -2.8102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4148   -3.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0579   -4.8692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4756   -2.8626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5080   -2.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0661   -2.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4297   -2.3836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8155   -2.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2618   -1.9305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9120   -2.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9499   -2.2068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7706   -2.5834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8986   -2.7702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1824   -1.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6335   -1.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2829   -1.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9096   -1.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4543   -0.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8860   -1.2852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9112   -1.6532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8833   -1.8055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3704   -0.5114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629   -0.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7124   -0.5563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629    0.8332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6814    1.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6814    2.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4109    2.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4109    3.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6814    4.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9519    3.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9519    2.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2239    4.0277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6814    4.8692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3065   -1.1861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9989   -0.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5583   -4.4896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4505   -1.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4109   -1.2859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1869   -3.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8682   -3.0609    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
  1 17  1  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20  8  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
 23 28  1  0  0  0  0
 29 30  1  1  0  0  0
 30 31  1  1  0  0  0
 32 31  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 29  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
 31 37  1  0  0  0  0
 32 19  1  0  0  0  0
 38 39  1  1  0  0  0
 39 40  1  1  0  0  0
 41 40  1  1  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 38  1  0  0  0  0
 39 44  1  0  0  0  0
 40 45  1  0  0  0  0
 20 38  1  0  0  0  0
 24 44  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 52 53  1  0  0  0  0
 53 54  2  0  0  0  0
 54 55  1  0  0  0  0
 55 56  2  0  0  0  0
 56 51  1  0  0  0  0
 55 57  1  0  0  0  0
 54 58  1  0  0  0  0
 41 59  1  0  0  0  0
 42 60  1  0  0  0  0
 60 46  1  0  0  0  0
 22 61  1  0  0  0  0
 62 63  1  0  0  0  0
 34 62  1  0  0  0  0
 64 65  1  0  0  0  0
 26 64  1  0  0  0  0
M  CHG  1  10   1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  62  63
M  SBL   1  1  69
M  SMT   1 ^ CH2OH
M  SBV   1  69    0.5386   -0.4303
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  64  65
M  SBL   2  1  71
M  SMT   2 ^ CH2OH
M  SBV   2  71    0.6018    0.2665
S  SKP  5
ID	FL7AAAGL0048
FORMULA	C42H47O23
EXACTMASS	919.25081281
AVERAGEMASS	919.8087800000001
SMILES	C(C(C3O)OC(Oc(c5c(c7)ccc(O)c7)cc(c(OC(C6O)OC(CO)C(C6O)O)4)c([o+1]5)cc(O)c4)C(C(O)3)OC(O2)C(O)C(O)C(C2CO)O)OC(=O)C=Cc(c1)ccc(c1O)O
M  END

</pre>

Retrieved from "http://metabolomics.jp/mediawiki/index.php?title=Mol:FL7AAAGL0048&oldid=192170"
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox