Mol:FL5FAAGS0047

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

FL5FAAGS0047.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 34 37  0  0  0  0  0  0  0  0999 V2000
   -2.6343    0.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6343    0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0780   -0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0780    1.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9654   -0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4091    0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4091    0.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9654    1.0982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9654   -0.6874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2913    1.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583    0.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    1.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    1.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583    2.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2913    1.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0780   -0.8287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2190    2.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1293    1.0982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.2749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9388   -1.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5670   -1.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3676   -0.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5670   -0.2909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9388    0.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1380   -0.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9084   -0.6257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1001   -1.9296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4154   -2.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9879   -1.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4229   -0.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1293   -0.3857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2701    0.3781    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
  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
 20  1  1  0  0  0  0
 21  8  1  0  0  0  0
  4  3  1  0  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 26  1  0  0  0  0
 26 27  1  1  0  0  0
 27 22  1  1  0  0  0
 27 28  1  0  0  0  0
 22 29  1  0  0  0  0
 23 30  1  0  0  0  0
 24 31  1  0  0  0  0
 26 21  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
S  SKP  8
ID	FL5FAAGS0047
KNApSAcK_ID	C00005860
NAME	Kaempferol 3-(2''-acetylrhamnoside)
CAS_RN	135618-15-4
FORMULA	C23H22O11
EXACTMASS	474.116211546
AVERAGEMASS	474.41418000000004
SMILES	c(C(=O)2)(c1O)c(OC(c(c4)ccc(c4)O)=C2OC(C(OC(C)=O)3)OC(C)C(O)C(O)3)cc(c1)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox