Mol:FL4DAINS0001

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

FL4DAINS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.0215   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5006   -1.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9797   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9797   -0.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5006    0.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0215   -0.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4588   -1.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0621   -0.7462    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0621   -0.1447    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4588    0.1560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5824    0.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4588   -1.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1168   -0.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6511    0.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6511    0.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1168    1.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5824    0.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5419    0.1557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6511    0.7728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5006   -1.6478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5824   -1.0466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3835    1.6478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8094    2.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5171   -0.3444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3831   -0.8444    0.0000 C   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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  6  0  0  0
  7 12  2  0  0  0  0
 11 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 11  1  0  0  0  0
  6 18  1  0  0  0  0
 15 19  1  0  0  0  0
  2 20  1  0  0  0  0
  8 21  1  1  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
 14 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  24  25
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26    1.8274   -0.0505
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24    1.3835    1.6478
S  SKP  8
ID	FL4DAINS0001
KNApSAcK_ID	C00008591
NAME	Dihydrosyringetin
CAS_RN	38690-67-4
FORMULA	C17H16O8
EXACTMASS	348.08451748799996
AVERAGEMASS	348.30413999999996
SMILES	COc(c1)c(O)c(OC)cc1[C@@H](O2)[C@@H](O)C(=O)c(c(O)3)c(cc(O)c3)2
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox