Mol:FL5FAAGA0035

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

FL5FAAGA0035.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 53 58  0  0  0  0  0  0  0  0999 V2000
   -5.5732    1.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5732    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8720    0.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708    1.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8720    2.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4696    0.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7684    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7684    1.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4696    2.0456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4696   -0.2051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0674    2.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3529    1.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6382    2.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6382    2.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3529    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0674    2.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8720   -0.3832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0985   -1.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3901   -2.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5495   -2.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4948   -2.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9089   -1.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0438   -1.8809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8089   -1.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6185    0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1072   -0.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1675    0.1262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7779   -0.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2666    0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3269    0.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8036    0.3148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7137    1.1057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2253    1.4895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6546    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864   -0.7433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9995   -2.2954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0838   -2.8868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4948   -3.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2169    0.7026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2742    2.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0763    3.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8024    2.0664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6058    1.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4087    2.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2118    1.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8024    2.4990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2118    0.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8992    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5868    0.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5868    1.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8992    1.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2742    0.4119    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
  3 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  1  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  1  0  0  0
 30 29  1  1  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
 31 33  1  0  0  0  0
 30 34  1  0  0  0  0
 29 35  1  0  0  0  0
 23 36  1  0  0  0  0
 35 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 32  8  1  0  0  0  0
 27 32  1  0  0  0  0
 26 40  1  0  0  0  0
  1 41  1  0  0  0  0
 15 42  1  0  0  0  0
 34 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 43 47  2  0  0  0  0
 46 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 52 46  1  0  0  0  0
 50 53  1  0  0  0  0
S  SKP  5
ID	FL5FAAGA0035
FORMULA	C36H36O17
EXACTMASS	740.1952497259999
AVERAGEMASS	740.66084
SMILES	OC(C1O)C(OC(=O)C=Cc(c6)ccc(c6)O)C(COC(O5)C(C(C(C5C)O)O)O)OC1OC(=C(c(c4)ccc(c4)O)3)C(c(c(O)2)c(O3)cc(c2)O)=O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox