Mol:FL5FAAGS0052

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

FL5FAAGS0052.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 37 40  0  0  0  0  0  0  0  0999 V2000
   -2.5740    1.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5740    0.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0177    0.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4614    0.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4614    1.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0177    1.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9051    0.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3488    0.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3488    1.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9051    1.6525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9051   -0.1331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517    1.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9187    1.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4856    1.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4856    2.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9187    2.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517    2.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0177   -0.2744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793    2.8101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0690    1.6525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2145    0.2794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9991   -0.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6273   -1.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4280   -0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6273    0.2634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9991    0.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1984   -0.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9687   -0.0714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1605   -1.3754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6273   -1.7852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0482   -0.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8439   -2.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -2.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5715   -2.8101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7147   -0.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0690    0.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9673   -0.5088    0.0000 O   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
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 28 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
S  SKP  8
ID	FL5FAAGS0052
KNApSAcK_ID	C00005865
NAME	Kaempferol 3-(2'',4''-diacetylrhamnoside)
CAS_RN	133882-73-2
FORMULA	C25H24O12
EXACTMASS	516.126776232
AVERAGEMASS	516.4508599999999
SMILES	c(C(=O)2)(c(OC(c(c4)ccc(c4)O)=C2OC(C(OC(C)=O)3)OC(C(OC(C)=O)C(O)3)C)1)c(O)cc(O)c1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox