Mol:FL1D1ANI0002

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

FL1D1ANI0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 30  0  0  0  0  0  0  0  0999 V2000
   -0.6173    0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6173   -0.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1526   -0.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3122   -0.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3122    0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1526    0.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1849   -0.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6493    0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1137   -0.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5769   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1137   -0.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5769    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0604    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5440    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5440   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0604   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0604   -0.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0274    0.8374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7766    0.7848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7766   -0.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2410   -0.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7054   -0.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1698   -0.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7054   -0.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6342   -0.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0986   -0.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5630   -0.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -0.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5630   -0.8244    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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  7  1  0  0  0  0
 10 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 10  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
  5 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
S  SKP  8
ID	FL1D1ANI0002
KNApSAcK_ID	C00008014
NAME	3-Geranyl-4,2',4'-trihydroxydihydrochalcone
CAS_RN	-
FORMULA	C25H30O4
EXACTMASS	394.21440944799997
AVERAGEMASS	394.50329999999997
SMILES	c(c1CCC(=O)c(c2O)ccc(c2)O)c(CC=C(C)CCC=C(C)C)c(O)cc1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox