Mol:FL2FDAGS0001

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

FL2FDAGS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 40 44  0  0  0  0  0  0  0  0999 V2000
   -5.4610    0.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4610   -0.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7600   -0.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0590   -0.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0590    0.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7600    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3580   -0.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6570   -0.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6570    0.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3580    0.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9562    0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2417    0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5272    0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5272    1.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2417    1.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9562    1.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3580   -1.6841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2150    1.8734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3432    0.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1139    1.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2506    1.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6178    2.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8470    1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7105    1.4217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3921    0.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1627    1.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2994    1.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667    2.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8959    1.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7592    1.5198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3323    2.0341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8444    2.2753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8364    1.7470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8953    2.2956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0578    1.8163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6396    0.8415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0096    0.7639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6396    1.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7600   -1.7758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8598   -2.2956    0.0000 C   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  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
  7 17  2  0  0  0  0
 14 18  1  0  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 24 19  1  1  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
 30 25  1  1  0  0  0
 20 31  1  0  0  0  0
 31 29  1  0  0  0  0
 18 23  1  0  0  0  0
 22 32  1  0  0  0  0
 21 33  1  0  0  0  0
 28 34  1  0  0  0  0
 27 35  1  0  0  0  0
 26 36  1  0  0  0  0
 37 38  1  0  0  0  0
  1 37  1  0  0  0  0
 39 40  1  0  0  0  0
  3 39  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  37  38
M  SBL   1  1  42
M  SMT   1 ^ OCH3
M  SBV   1  42    0.5486   -0.5486
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  39  40
M  SBL   2  1  44
M  SMT   2  OCH3
M  SBV   2  44    0.0000    0.7770
S  SKP  5
ID	FL2FDAGS0001
FORMULA	C27H32O13
EXACTMASS	564.18429111
AVERAGEMASS	564.53518
SMILES	O(C(C5O)OCC(C5O)O)C(C4)C(O)C(O)C(O4)Oc(c1)ccc(C(C2)Oc(c3)c(c(OC)cc3OC)C2=O)c1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox