Mol:FL5FCGCS0001

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

FL5FCGCS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 34 37  0  0  0  0  0  0  0  0999 V2000
   -1.9220   -0.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9220   -1.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2075   -1.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4930   -1.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4930   -0.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2075    0.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2215   -1.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9360   -1.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9360   -0.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2215    0.2032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2075   -2.2716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6561    0.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3353   -0.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0143    0.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0143    1.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3353    1.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6561    1.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6934    1.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2215   -2.2758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0181    1.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6898    1.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8821    1.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1744    0.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5497    1.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2801    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6934    1.7301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4886    1.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5292    2.2758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5219    2.0829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3353    2.1932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6934   -0.1594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6503   -1.4467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5607    0.1187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2283    1.3595    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  3 11  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
  9 12  1  0  0  0  0
 15 18  1  0  0  0  0
  7 19  2  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  1  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
  6 23  1  0  0  0  0
 16 30  1  0  0  0  0
 14 31  1  0  0  0  0
  8 32  1  0  0  0  0
 33 34  1  0  0  0  0
  1 33  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  33  34
M  SBL   1  1  37
M  SMT   1 ^ OCH3
M  SBV   1  37    0.6387   -0.3279
S  SKP  5
ID	FL5FCGCS0001
FORMULA	C22H22O12
EXACTMASS	478.111126168
AVERAGEMASS	478.40288000000004
SMILES	c(c3C(C4O)OC(C)C(C4O)O)(cc(O)c(c31)C(C(O)=C(c(c2)cc(O)c(O)c(O)2)O1)=O)OC
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox