Mol:BMMCHC--k009

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

BMMCHC--k009.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 11 11  0  0  1  0  0  0  0  0999 V2000
    3.7601   -1.1614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.5736    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2601    0.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    0.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5201   -0.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7281    0.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6791    1.0225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9849    1.3827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1569   -1.3827    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5 11  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
  2 10  1  4  0  0  0
S  SKP  7
ID	BMMCHC--k009
NAME	2-Chloro-2,5-dihydro-5-oxofuran-2-acetic acid
FORMULA	C6H5ClO4
EXACTMASS	175.9876
AVERAGEMASS	176.5542
SMILES	OC(=O)CC(Cl)(C=1)OC(=O)C1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04522
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox