Mol:FL5FAGGS0031

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

FL5FAGGS0031.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 36 39  0  0  0  0  0  0  0  0999 V2000
    1.7862    1.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    2.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    2.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    2.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    1.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.4572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    1.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    1.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    1.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.8998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    1.4572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.1928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.8838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    2.6947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    3.5197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1786    1.0658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0366   -1.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1025   -2.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5631   -1.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3844   -1.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5236   -0.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580   -1.3008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7201   -2.2942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3558   -2.4945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5821   -2.2479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5411   -1.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7157   -3.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0361   -3.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3871   -3.5197    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
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
 16 20  1  0  0  0  0
  5 21  1  0  0  0  0
  4 22  1  0  0  0  0
  6 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 27 26  1  1  0  0  0
 28 27  1  1  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
 26 31  1  0  0  0  0
 25 32  1  0  0  0  0
 24 33  1  0  0  0  0
 30 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 28 19  1  0  0  0  0
S  SKP  5
ID	FL5FAGGS0031
FORMULA	C23H22O13
EXACTMASS	506.10604078999995
AVERAGEMASS	506.41298000000006
SMILES	C(C)(C(O)1)OC(OC(C4=O)=C(Oc(c43)cc(cc3O)O)c(c2)cc(O)c(O)c(O)2)C(OC(C)=O)C(O)1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox