Mol:FL1CA9NP0011

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

FL1CA9NP0011.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.5305    0.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5305   -0.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8160   -0.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1015   -0.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1015    0.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8160    0.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3871   -0.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3871   -1.7183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3274   -0.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0419   -0.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7563   -0.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4708   -0.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1853   -0.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1853    0.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4708    0.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7563    0.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8160   -1.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4033   -1.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3871    0.7567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3871    1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1015    1.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8160    1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1853    0.7223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2557    1.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2316    1.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  3 17  1  0  0  0  0
 17 18  1  0  0  0  0
  5 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22  6  1  0  0  0  0
  1 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
S  SKP  8
ID	FL1CA9NP0011
KNApSAcK_ID	C00014447
NAME	Cedreprenone;(2E)-1-(5-Hydroxy-7-methoxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-3-phenyl-2-propen-1-one
CAS_RN	554408-31-0
FORMULA	C21H20O4
EXACTMASS	336.136159128
AVERAGEMASS	336.38109999999995
SMILES	COc(c2)c(C(=O)C=Cc(c3)cccc3)c(c1c(O)2)OC(C=C1)(C)C
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox