Mol:BMFYB5DAd012

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

BMFYB5DAd012.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 14 13  0  0  1  0  0  0  0  0999 V2000
    4.5981    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7321    0.8100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8220   -1.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3220   -1.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2321    1.6760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3220   -1.9440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220   -2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0  0  0  0
  1  8  2  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  4  0  0  0
  2  3  1  0  0  0  0
  3 10  1  4  0  0  0
  3  6  1  0  0  0  0
  6 14  1  0  0  0  0
  6 13  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
S  SKP  6
ID	BMFYB5DAd012
NAME	Fluoro-citric acid
FORMULA	C6H7FO7
EXACTMASS	210.0175
AVERAGEMASS	210.1139
SMILES	OC(=O)CC(O)(C(O)=O)C(F)C(O)=O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox