Mol:FL5FFCGS0015

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

FL5FFCGS0015.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 36 39  0  0  0  0  0  0  0  0999 V2000
   -1.8780   -0.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8780   -1.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3217   -1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7654   -1.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7654   -0.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3217   -0.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2091   -1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3472   -1.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3472   -0.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2091   -0.4558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2091   -2.2414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9033   -0.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4703   -0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0372   -0.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0372    0.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4703    0.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9033    0.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3217   -2.3826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9033   -1.7404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4703    1.1806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2102    0.1765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2344    2.3075    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6180    1.7136    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1831    1.2176    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9741    0.6624    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7165    1.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1431    1.7279    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3771    2.8399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8761    2.3279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6183    0.6844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7613    2.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1293    1.9232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4254   -1.2362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3651   -1.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6214    0.5177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3359    0.1052    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
  3 18  1  0  0  0  0
  8 19  1  0  0  0  0
 16 20  1  0  0  0  0
  6 21  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 21 25  1  0  0  0  0
 27 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
 15 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  31  32
M  SBL   3  1  34
M  SMT   3  CH2OH
M  SVB   3 34   -2.2598     2.333
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  35  36
M  SBL   2  1  38
M  SMT   2  OCH3
M  SVB   2 38    2.6214    0.5177
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  33  34
M  SBL   1  1  36
M  SMT   1  OCH3
M  SVB   1 36   -2.2352   -0.1582
S  SKP  8
ID	FL5FFCGS0015
KNApSAcK_ID	C00005713
NAME	Gossypetin 7,4'-dimethyl ether 8-glucoside
CAS_RN	32427-55-7
FORMULA	C23H24O13
EXACTMASS	508.121690854
AVERAGEMASS	508.42886
SMILES	c(c1)c(OC)c(cc1C(O4)=C(C(c(c42)c(cc(OC)c2O[C@H](O3)[C@@H](O)[C@H]([C@H](C(CO)3)O)O)O)=O)O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox