Mol:FL2FABGS0001

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

FL2FABGS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 43 47  0  0  0  0  0  0  0  0999 V2000
   -0.9931    0.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931   -0.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2979   -0.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3974   -0.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3974    0.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2979    1.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0926   -0.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879   -0.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879    0.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0926    1.1203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4827    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1973    0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118    1.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1973    2.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4827    1.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879    1.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2979   -1.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6878    1.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3986    0.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8613    0.8336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2151    0.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4212    0.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1536    1.2861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9476    0.8336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7910    0.0098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4177    0.5218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0078    0.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0926   -1.0015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4762   -0.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9702   -1.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0201   -1.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0644   -1.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5703   -0.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5204   -1.1388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0644   -2.3577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2196   -2.1960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5623   -1.3920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1639   -0.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5103    1.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6174    1.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6248    2.3568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6174    1.7837    0.0000 C   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  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 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 11  1  0  0  0  0
  9 17  1  1  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  1  0  0  0
 20 23  1  1  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  1  0  0  0  0
 23 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
  7 29  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  1  0  0  0
 32 33  1  1  0  0  0
 34 33  1  1  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
 32 37  1  0  0  0  0
 31 38  1  0  0  0  0
 30 39  1  0  0  0  0
 34 26  1  0  0  0  0
 40 41  1  0  0  0  0
 25 40  1  0  0  0  0
 42 43  1  0  0  0  0
 14 42  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  40  41
M  SBL   1  1  45
M  SMT   1 ^CH2OH
M  SBV   1  45    0.5627   -0.4490
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  42  43
M  SBL   2  1  47
M  SMT   2 OCH3
M  SBV   2  47   -0.7130   -0.4116
S  SKP  5
ID	FL2FABGS0001
FORMULA	C28H33HO14
EXACTMASS	594.194855796
AVERAGEMASS	594.56116
SMILES	c(OC)(c1)ccc(C(O5)(CC(=O)c(c52)c(cc(OC(C3OC(O4)C(O)C(C(C4C)O)O)OC(C(C3O)O)CO)c2)O)[H])c1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox