Mol:FL1DHXCS0003

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

FL1DHXCS0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 32  0  0  0  0  0  0  0  0999 V2000
   -2.5005   -0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005   -1.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861   -1.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861   -0.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -1.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005   -0.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    0.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    0.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -2.7685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2150    0.9439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2150   -0.2936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0816   -1.9493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    1.7039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7453    2.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3666    1.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0069    0.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0760    0.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4545    0.6878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8142    1.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3396    0.3909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3273    2.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2609    2.7685    0.0000 O   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
  4  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 11  2  0  0  0  0
 11 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 10  1  0  0  0  0
  7 16  2  0  0  0  0
  5 17  1  0  0  0  0
  1 19  1  0  0  0  0
 13 18  1  0  0  0  0
  8 20  1  0  0  0  0
 14 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
 24 28  1  0  0  0  0
 23 29  1  0  0  0  0
 22 30  1  0  0  0  0
  6 25  1  0  0  0  0
S  SKP  5
ID	FL1DHXCS0003
FORMULA	C20H22O10
EXACTMASS	422.121296924
AVERAGEMASS	422.38268000000005
SMILES	c(c1O)c(CC(O)C(c(c2)c(O)c(C(C(O)3)OCC(O)C3O)c(c2)O)=O)ccc1O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox