Mol:FL6DDANP0001

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

FL6DDANP0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 32  0  0  0  0  0  0  0  0999 V2000
    1.1207    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4062    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3082    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3082   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4062   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0227    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7372    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7372   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0227   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4517    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1661    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1661   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4517   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8352    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5496    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2641    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2641    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5496    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8352    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9786    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483    1.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9786    0.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0227   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7372   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4062   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8352   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5496   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  2  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  4  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  1 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 10 24  1  0  0  0  0
  5 26  1  1  0  0  0
  6 28  1  1  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
S  SKP  8
ID	FL6DDANP0001
KNApSAcK_ID	C00013270
NAME	3beta,4beta,5-Trimethoxy-4'-hydroxy- (6:7)-2,2-dimethylpyranoflavan
CAS_RN	462109-98-4
FORMULA	C23H26O6
EXACTMASS	398.172938564
AVERAGEMASS	398.44894
SMILES	C(OC)(C1c(c4)ccc(c4)O)C(OC)c(c(OC)2)c(cc(O3)c2C=CC3(C)C)O1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox