Mol:FL5FAAGS0102

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

FL5FAAGS0102.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 41 45  0  0  0  0  0  0  0  0999 V2000
    1.3905    3.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3905    2.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1050    2.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8195    2.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8195    3.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1050    3.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6760    2.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0385    2.5426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7529    2.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7529    1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0385    0.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6760    1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4674    2.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1819    2.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1819    1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4674    0.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0385    0.1742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8963    2.5426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2823    0.9549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4202    3.7143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4674    0.1930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4990   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9519   -3.1384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2021   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5476   -3.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1932   -3.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6086   -2.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4337   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8432   -3.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4277   -3.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6027   -3.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4202   -3.0696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2709   -0.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9115   -1.6530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2547   -0.2354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2804   -0.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6360   -0.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9127   -0.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3228   -0.3556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6360   -1.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1401   -1.6299    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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
  5 20  1  0  0  0  0
 16 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 38 33  1  1  0  0  0
 37 33  1  1  0  0  0
 36 38  1  1  0  0  0
 38 34  1  0  0  0  0
 39 36  1  0  0  0  0
 37 39  1  0  0  0  0
 33 35  1  0  0  0  0
 37 40  1  0  0  0  0
 40 41  1  0  0  0  0
 34 22  1  0  0  0  0
 19 36  1  0  0  0  0
S  SKP  5
ID	FL5FAAGS0102
FORMULA	C29H24O12
EXACTMASS	564.126776232
AVERAGEMASS	564.49366
SMILES	O(C2CO)C(OC(C5=O)=C(Oc(c54)cc(O)cc4O)c(c3)ccc(c3)O)C(C(O)2)OC(=O)C=Cc(c1)ccc(c1)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox