Mol:FL5FACGS0050

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

FL5FACGS0050.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 43 47  0  0  0  0  0  0  0  0999 V2000
   -3.2350    0.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2350   -0.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6787   -0.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1224   -0.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1224    0.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6787    0.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5661   -0.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0098   -0.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0098    0.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5661    0.8387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5661   -0.9468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3093    0.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2577    0.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8246    0.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8246    1.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2577    1.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3093    1.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6787   -1.0881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6183    1.9964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7299    0.8387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4465   -0.5343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3381   -1.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9663   -1.9496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7670   -1.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9663   -0.5504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3381   -0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5374   -0.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3077   -0.8851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4995   -2.1891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9663   -2.5989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3872   -1.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2577    2.5989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7615   -0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7615    0.0844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3282   -0.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3282   -1.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7957   -1.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2632   -1.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2632   -0.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7957   -0.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7299   -0.4890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7299   -1.5678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7957   -2.1072    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
 16 32  1  0  0  0  0
 28 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 35  1  0  0  0  0
 39 41  1  0  0  0  0
 38 42  1  0  0  0  0
 37 43  1  0  0  0  0
S  SKP  8
ID	FL5FACGS0050
KNApSAcK_ID	C00005966
NAME	Quercetin 3-(2''-galloylrhamnoside)
CAS_RN	80229-08-9
FORMULA	C28H24O15
EXACTMASS	600.111520098
AVERAGEMASS	600.48116
SMILES	c(c31)(C(=O)C(OC(C(OC(c(c5)cc(O)c(O)c(O)5)=O)4)OC(C(O)C(O)4)C)=C(O3)c(c2)cc(c(c2)O)O)c(cc(O)c1)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox