Mol:FL3FAINP0001

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

FL3FAINP0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.6655   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3799   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0944   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0944   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3799   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0490   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7635   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7635   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0490   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4779    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1924   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1924    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4779    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0490   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6214    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6214   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3799   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1924    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3358    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8089   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5234   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5234   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8089   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3358   -0.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8055    0.3627    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  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
 13 19  1  0  0  0  0
 20  6  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 19 23  1  0  0  0  0
  4 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27  5  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
S  SKP  8
ID	FL3FAINP0001
KNApSAcK_ID	C00013440
NAME	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
CAS_RN	259814-39-6
FORMULA	C22H20O7
EXACTMASS	396.120902994
AVERAGEMASS	396.39
SMILES	C(O1)(C=Cc(c4O)c1cc(c34)OC(=CC(=O)3)c(c2)cc(c(c(OC)2)O)OC)(C)C
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox