Mol:FL3FACGS0032

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

FL3FACGS0032.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 45 49  0  0  0  0  0  0  0  0999 V2000
   -0.6177   -1.5767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6177   -2.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0026   -2.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6230   -2.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6230   -1.5767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0026   -1.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2435   -2.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8637   -2.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8637   -1.5767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2435   -1.2186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2435   -3.4119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4839   -1.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1161   -1.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7485   -1.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7485   -0.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1161   -0.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4839   -0.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3321   -1.1643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0026   -3.3661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5659   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0109   -1.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5145   -1.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7996   -1.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1098   -1.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6110   -1.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3413   -1.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5659   -1.5520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2883   -1.9245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1205   -2.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1161    0.6063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    2.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1567    1.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8587    1.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517    0.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517    1.5530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6499    2.6157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828    2.1561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0554    0.4669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6409    2.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0965    3.4119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8989    3.3746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6943   -0.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4885   -0.9318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2957   -0.2415    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
 18  1  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  1  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 18  1  0  0  0  0
 16 30  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 36  1  0  0  0  0
 36 31  1  0  0  0  0
 31 37  1  0  0  0  0
 32 38  1  0  0  0  0
 33 39  1  0  0  0  0
 34 30  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 36 40  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 26 43  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  40  41  42
M  SBL   1  1  46
M  SMT   1  COOH
M  SBV   1  46    0.0091   -0.8773
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  3  43  44  45
M  SBL   2  1  49
M  SMT   2 ^ COOH
M  SBV   2  49    0.3530   -0.4305
S  SKP  5
ID	FL3FACGS0032
FORMULA	C27H26O18
EXACTMASS	638.111914028
AVERAGEMASS	638.4845399999999
SMILES	O(C(c(c4)cc(OC(C5O)OC(C(O)C5O)C(O)=O)c(c4)O)=1)c(c2)c(c(cc2OC(O3)C(C(C(O)C3C(O)=O)O)O)O)C(=O)C1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox