Mol:FL1DA9NP0002

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

FL1DA9NP0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
    1.2403   -0.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2403   -0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7051   -1.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1698   -0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1698   -0.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7051    0.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6728   -1.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2084   -0.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2560   -1.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7192   -0.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2560   -1.5407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7192   -0.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2028    0.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6863   -0.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6863   -0.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2028   -1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2358    0.0991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2028   -1.5758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1698    0.0992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1698   -1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2028    0.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2358    0.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7193    0.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3123    0.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0907    1.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7193    1.5758    0.0000 O   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
 12 17  1  0  0  0  0
 16 18  1  0  0  0  0
 14 19  1  0  0  0  0
 20 15  1  0  0  0  0
 13 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  6  0  0  0
S  SKP  8
ID	FL1DA9NP0002
KNApSAcK_ID	C00008013
NAME	2',4',5''-Trihydroxy-3',6'',6''-trimetylpyrano[2'',3'':6',5']dihydrochalcone
CAS_RN	125574-36-9
FORMULA	C21H24O5
EXACTMASS	356.162373878
AVERAGEMASS	356.41226
SMILES	O(c12)C(C)(C)C(O)Cc1c(c(c(O)c2C(=O)CCc(c3)cccc3)C)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox