Mol:FLIA19NM0003

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

FLIA19NM0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.2144    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2144    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6581   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1018    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1018    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6581    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4545   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0108    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0108    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4545    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7705    1.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5669   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5669   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1617   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7565   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7565   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1617    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4545   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2635    0.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7565    1.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2634    0.3034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5669    1.1573    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
  1 11  1  0  0  0  0
  8 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
  7 18  2  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  9 22  1  0  0  0  0
S  SKP  8
ID	FLIA19NM0003
KNApSAcK_ID	C00009395
NAME	7-Acetyloxy-2-methylisoflavone
CAS_RN	3211-63-0
FORMULA	C18H14O4
EXACTMASS	294.089208936
AVERAGEMASS	294.30136
SMILES	c(C(=C(C)3)C(c(c2O3)ccc(OC(C)=O)c2)=O)(c1)cccc1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox