Mol:FL1CA9NF0003

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

FL1CA9NF0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.2496   -0.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2496   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5351   -1.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207   -0.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5351    0.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1062   -1.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1062   -2.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6083   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3227   -1.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0372   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517   -1.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4661   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4661   -0.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517    0.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0372   -0.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5351   -2.0193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1527    0.3657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2242   -2.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7067    1.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5272    1.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8627    0.5321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8257    1.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4709    2.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4661    1.8028    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
  5 18  1  0  0  0  0
 17 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  1  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
S  SKP  8
ID	FL1CA9NF0003
KNApSAcK_ID	C00014443
NAME	Crassichalcone;5''-Isopropenyl-4'',5''-dihydrofurano[2'',3'':4',3']-2'-hydroxy-6'-methoxychalcone
CAS_RN	260437-87-4
FORMULA	C21H20O4
EXACTMASS	336.136159128
AVERAGEMASS	336.38109999999995
SMILES	COc(c2C(=O)C=Cc(c3)cccc3)cc(O1)c(c2O)CC1C(C)=C
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox