Mol:FL5FDEGS0001

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

FL5FDEGS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 35 38  0  0  0  0  0  0  0  0999 V2000
    2.9474   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2330    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2330    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9474    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6619    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6619    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5185   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8040    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0895   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0895   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8040   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5185   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6249    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3394   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3394   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6249   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8040   -2.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0539    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2330   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6249   -2.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3764    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9474    2.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9462   -1.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0897    1.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6064    0.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1938   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3955   -0.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6020   -0.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0146    0.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8130    0.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9699    0.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4498    0.9386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0897   -0.1808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6425   -0.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5670   -0.8431    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
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 25 26  1  1  0  0  0
 26 27  1  1  0  0  0
 28 27  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 25  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 25 33  1  0  0  0  0
 26 34  1  0  0  0  0
 27 35  1  0  0  0  0
 28 18  1  0  0  0  0
S  SKP  8
ID	FL5FDEGS0001
KNApSAcK_ID	C00013931
NAME	Quercetin 3,4'-dimethyl ether 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one
CAS_RN	70324-45-7
FORMULA	C23H24O12
EXACTMASS	492.126776232
AVERAGEMASS	492.42946
SMILES	C(C1O)(C(C(OC1Oc(c2)cc(O3)c(C(C(=C3c(c4)cc(c(c4)OC)O)OC)=O)c(O)2)CO)O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox