Mol:FL3FCDGS0002

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

FL3FCDGS0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 34 37  0  0  0  0  0  0  0  0999 V2000
   -0.5170    0.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5170    0.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0659   -0.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3851    0.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3851    0.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0659    0.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8362   -0.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2873    0.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2873    0.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8362    0.9150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0079   -0.4946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7382    0.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1979    0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6576    0.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6576    1.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1979    1.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7382    1.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6576    1.4457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0659   -0.6464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5340   -1.1503    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0184   -1.8309    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2759   -1.5422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5594   -1.5344    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0801   -1.0137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7297   -1.3565    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.2478   -1.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8222   -1.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8505   -2.2563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9347   -0.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8884   -0.1306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4277    2.2563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8162    3.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8742    1.2733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3742    2.1393    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
 18 15  1  0  0  0  0
  3 19  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  1  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 19  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  0  0  0  0
 16 31  1  0  0  0  0
 31 32  1  0  0  0  0
  1 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  29  30
M  SBL   3  1  32
M  SMT   3  CH2OH
M  SVB   3 32   -1.9347   -0.4314
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  33  34
M  SBL   2  1  36
M  SMT   2  OCH3
M  SVB   2 36   -0.8742    1.2733
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  34
M  SMT   1  OCH3
M  SVB   1 34    2.4277    2.2563
S  SKP  8
ID	FL3FCDGS0002
KNApSAcK_ID	C00004370
NAME	Luteolin 7,3'-dimethyl ether 5-glucoside
CAS_RN	83133-15-7
FORMULA	C23H24O11
EXACTMASS	476.13186161
AVERAGEMASS	476.43006
SMILES	C(C3=O)=C(c(c4)cc(c(c4)O)OC)Oc(c31)cc(OC)cc(O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox