Mol:FL5FACGS0066

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

FL5FACGS0066.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 42 46  0  0  0  0  0  0  0  0999 V2000
    1.1147    3.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1147    2.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8290    2.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5435    2.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5435    3.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8290    3.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4002    2.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3143    2.4570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288    2.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288    1.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3143    0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4002    1.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7431    2.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4576    2.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4576    1.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7431    0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3143    0.0760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1721    2.4570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1147    0.8071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7431    0.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1354    3.6237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1721    2.0942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3755   -3.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8084   -3.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3755   -2.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1762   -2.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7408   -2.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8084   -3.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2183   -2.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7408   -3.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -3.6527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8884   -1.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0929   -1.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3289   -0.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0534   -0.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2579   -0.0891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1641   -0.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8807   -0.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3203   -1.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3330   -1.8230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7043   -1.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -0.7680    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
  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
 28 23  1  1  0  0  0
 27 23  1  1  0  0  0
 26 28  1  1  0  0  0
 28 24  1  0  0  0  0
 29 26  1  0  0  0  0
 27 29  1  0  0  0  0
 23 25  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  1  0  0  0
 33 34  1  1  0  0  0
 35 34  1  1  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 32 40  1  0  0  0  0
 33 41  1  0  0  0  0
 34 42  1  0  0  0  0
 35 19  1  0  0  0  0
 26 42  1  0  0  0  0
S  SKP  5
ID	FL5FACGS0066
FORMULA	C26H28O16
EXACTMASS	596.137734848
AVERAGEMASS	596.49092
SMILES	c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)OC(C1OC(C(O)2)OC(CO)C(O)2)OC(CO)C(C(O)1)O)=O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox