Mol:FL5FEAGS0025

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

FL5FEAGS0025.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 36 40  0  0  0  0  0  0  0  0999 V2000
    0.0784    0.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6361    0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6361    1.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0784    1.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7929    1.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7929    0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3504    0.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0649    0.5071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7794    0.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7794   -0.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0649   -1.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3504   -0.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4939    0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    0.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083   -0.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4939   -1.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0649   -1.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4939   -1.8834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9928    0.3495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4778   -0.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9928   -0.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6591    1.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0538    1.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8789    1.1849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5797    0.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1852    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3600    1.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0903    1.7725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9803    0.9992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0228    1.8834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3963    1.6804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5006    0.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4778    0.8376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1952   -0.3263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6799   -1.1176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6799   -1.8520    0.0000 C   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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 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 10  1  0  0  0  0
 11 17  2  0  0  0  0
 16 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
 22 30  1  0  0  0  0
  5 31  1  0  0  0  0
 23 31  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 25 32  1  0  0  0  0
 35 36  1  0  0  0  0
 12 35  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  32  33  34
M  SBL   1  1  38
M  SMT   1  COOH
M  SBV   1  38   -0.9209    0.1232
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  35  36
M  SBL   2  1  40
M  SMT   2  OCH3
M  SBV   2  40   -0.6706    0.3872
S  SKP  5
ID	FL5FEAGS0025
FORMULA	C23H20O13
EXACTMASS	504.090390726
AVERAGEMASS	504.3971
SMILES	O=C(C=3OC)c(c(O)1)c(OC(c(c4)ccc(OC(O5)C(O)C(C(O)C5C(O)=O)O)c4)3)cc(O2)c(OC2)1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox