Mol:FL3FAACS0071

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

FL3FAACS0071.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 40 44  0  0  0  0  0  0  0  0999 V2000
    2.1609    0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4465    1.1196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7321    0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7321   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4465   -0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1609   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0176    1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6969    0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6969   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0176   -0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3679    1.0945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0176   -1.2699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4465   -1.1025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3207    0.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9081   -0.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1097   -0.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3164   -0.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7289    0.3681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5272    0.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8206    0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5122    0.8659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8097    0.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4603   -0.3289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5525   -0.7219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9427    1.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6571    0.7459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3716    1.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3716    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6571    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9427    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9867    2.3385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5018   -1.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5236   -2.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9344   -1.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1329   -1.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1110   -0.6086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7004   -1.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7597   -0.9364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9867   -2.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1395   -2.3958    0.0000 O   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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
  5 13  2  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  1  0  0  0
 17 16  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
  9 17  1  0  0  0  0
  1 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  1  0  0  0
 35 34  1  1  0  0  0
 36 35  1  1  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 32 38  1  0  0  0  0
 33 39  1  0  0  0  0
 34 40  1  0  0  0  0
 35 24  1  0  0  0  0
S  SKP  5
ID	FL3FAACS0071
FORMULA	C26H28O14
EXACTMASS	564.147905604
AVERAGEMASS	564.49212
SMILES	OC(C1O)C(O)COC1OC(C(O)5)C(OC(CO)C(O)5)c(c4O)c(O)cc(c34)OC(=CC3=O)c(c2)ccc(c2)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox