Mol:FL3FAACS0013

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

FL3FAACS0013.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 40 44  0  0  0  0  0  0  0  0999 V2000
   -1.4627   -0.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4627   -1.7097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7482   -2.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0337   -1.7097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0337   -0.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7482   -0.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6808   -2.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3954   -1.7097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3954   -0.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6808   -0.4721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6808   -2.7656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1770   -0.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4743    2.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2522    1.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9221    0.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9133    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3182    0.6954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7100    1.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8089    2.9367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2522    2.3935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3799    0.4615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7482   -2.9471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1891   -0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9420   -0.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6950   -0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6950    0.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9420    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1891    0.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4475    0.8580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9652   -1.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4886   -2.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8021   -2.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1395   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6210   -1.5684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2215   -1.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4475   -1.9733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1133   -2.3240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1929   -2.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3130    1.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3291    2.9471    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
  1 12  1  0  0  0  0
 13 14  1  1  0  0  0
 14 15  1  1  0  0  0
 16 15  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
  6 16  1  0  0  0  0
  3 22  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 23  9  1  0  0  0  0
 26 29  1  0  0  0  0
 30 31  1  1  0  0  0
 31 32  1  1  0  0  0
 33 32  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 30 36  1  0  0  0  0
 31 37  1  0  0  0  0
 32 38  1  0  0  0  0
 33  2  1  0  0  0  0
 39 40  1  0  0  0  0
 18 39  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  39  40
M  SBL   1  1  44
M  SMT   1  CH2OH
M  SBV   1  44   -0.3970   -0.3970
S  SKP  5
ID	FL3FAACS0013
FORMULA	C26H28O14
EXACTMASS	564.147905604
AVERAGEMASS	564.49212
SMILES	C(C5O)OC(C(C5O)O)c(c3O)c(c(c(c3C(O4)C(C(C(O)C4CO)O)O)2)C(=O)C=C(O2)c(c1)ccc(O)c1)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox