Mol:FL5FECGS0030

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

FL5FECGS0030.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 37 40  0  0  0  0  0  0  0  0999 V2000
   -0.7853    0.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7853   -0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2290   -0.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3273   -0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3273    0.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2290    0.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8836   -0.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4399   -0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4399    0.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8836    0.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8836   -1.3006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9960    0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5630    0.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300    0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300    1.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5630    1.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9960    1.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2290   -1.4419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1300    1.1396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414   -0.7996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2299   -1.1272    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8030   -1.6908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1882   -1.4517    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5950   -1.4453    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0261   -1.0141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6541   -1.2396    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.7789   -1.0791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4686   -1.7232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8360   -2.0430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8893   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8673   -0.3051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8464    2.0430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2878    2.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3059   -0.9786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1719   -1.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1425    0.7826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6424    1.6487    0.0000 C   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  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  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
  3 18  1  0  0  0  0
 19 15  1  0  0  0  0
  2 20  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
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 20  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 16 32  1  0  0  0  0
 32 33  1  0  0  0  0
  8 34  1  0  0  0  0
 34 35  1  0  0  0  0
  1 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  30  31
M  SBL   4  1  33
M  SMT   4  CH2OH
M  SVB   4 33   -2.8893   -0.5138
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  36  37
M  SBL   3  1  39
M  SMT   3  OCH3
M  SVB   3 39   -1.1425    0.7826
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  34  35
M  SBL   2  1  37
M  SMT   2  OCH3
M  SVB   2 37    1.6388   -0.6848
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  32  33
M  SBL   1  1  35
M  SMT   1  OCH3
M  SVB   1 35    2.8464     2.043
S  SKP  8
ID	FL5FECGS0030
KNApSAcK_ID	C00005676
NAME	Chrysosplenoside C
CAS_RN	24274-45-1
FORMULA	C24H26O13
EXACTMASS	522.137340918
AVERAGEMASS	522.45544
SMILES	C(C([C@H](O)1)O[C@@H](Oc(c4O)c(OC)cc(c43)OC(=C(OC)C3=O)c(c2)cc(c(c2)O)OC)[C@H]([C@H]1O)O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox