Mol:FL3FAACS0004

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

FL3FAACS0004.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.5211   -0.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5211   -1.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8066   -1.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0922   -1.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0922   -0.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8066   -0.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3777   -1.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3367   -1.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3367   -0.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3777   -0.2474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3777   -2.5405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0509   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7791   -0.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5074   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5074    0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7791    1.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0509    0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2353    1.0135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8066   -2.7220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2353   -0.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5209    2.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1501    2.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8832    1.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8760    0.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3946    1.2038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7116    1.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9590    2.5480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1501    2.7220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3012    0.9669    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
  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
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  1  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
  6 24  1  4  0  0  0
S  SKP  5
ID	FL3FAACS0004
FORMULA	C20H18O9
EXACTMASS	402.095082174
AVERAGEMASS	402.35152
SMILES	c(O)(c2)c(C(=O)4)c(OC(=C4)c(c3)ccc(O)c3)c(c(O)2)C(C(O)1)OCC(O)C1O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox