Mol:FL2F1CNI0001

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

FL2F1CNI0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.9630   -0.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067   -1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504   -0.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067   -0.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622   -0.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -0.0489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853   -0.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    0.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    0.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -1.8774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191    0.9329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5191   -0.0491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    1.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067    0.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9628    0.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9628    1.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5189    1.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067    1.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2033    1.7336    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 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
  7 17  2  0  0  0  0
 14 18  1  0  0  0  0
  1 19  1  0  0  0  0
 15 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 20 26  1  0  0  0  0
 26 18  1  0  0  0  0
S  SKP  8
ID	FL2F1CNI0001
KNApSAcK_ID	C00008285
NAME	Ovaliflavanone C
CAS_RN	75680-31-8
FORMULA	C21H20O5
EXACTMASS	352.13107375
AVERAGEMASS	352.3805
SMILES	O(C1)c(c2)c(ccc(C(C3)Oc(c(CC=C(C)C)4)c(ccc4O)C(=O)3)2)O1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox