Mol:FL4DACGS0018

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

FL4DACGS0018.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
   -1.4357   -1.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7213   -1.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0068   -1.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0068   -0.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7213    0.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4357   -0.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7077   -1.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4222   -1.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4222   -0.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7077    0.1912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7077   -2.1774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2173    0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9425   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6677    0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6677    1.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9425    1.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2173    1.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0539    0.1727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1909   -1.6957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3929    1.4456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9425    2.2830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7213   -2.2830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875    0.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1234    0.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5945    0.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4137   -0.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6778   -0.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2067    0.1341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6963    1.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2463    1.3104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3929    0.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9514   -0.6880    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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  6  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  6 18  1  0  0  0  0
  8 19  1  1  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
  2 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  1  0  0  0
 27 26  1  1  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  1  0  0  0  0
 26 32  1  0  0  0  0
 27 18  1  0  0  0  0
S  SKP  5
ID	FL4DACGS0018
FORMULA	C21H22O11
EXACTMASS	450.116211546
AVERAGEMASS	450.39278
SMILES	C(O1)(Oc(c4)cc(c2c4O)OC(c(c3)cc(c(O)c3)O)C(C(=O)2)O)C(O)C(O)C(O)C(C)1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox