Mol:FL1DQUNI0001

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

FL1DQUNI0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 31  0  0  0  0  0  0  0  0999 V2000
   -0.9268   -0.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9268   -0.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4620   -1.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0027   -0.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0027   -0.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4620   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4620   -1.7996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4671   -0.1902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4671   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9303   -0.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8568   -0.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3200   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7832   -0.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7832   -0.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3200   -0.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8568   -0.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4671   -1.7980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3090   -0.2377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1832    0.2929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8013    0.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3912   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8556   -0.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3200   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7832   -0.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3200   -1.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6689    0.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310    1.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6691    1.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4549    1.3459    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  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  9 18  2  0  0  0  0
  1 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 21 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
S  SKP  8
ID	FL1DQUNI0001
KNApSAcK_ID	C00007983
NAME	3',4',6'-Trihydroxy-2'-oxo-3',5'-diprenyldihydrochalcone
CAS_RN	-
FORMULA	C25H30O5
EXACTMASS	410.20932407
AVERAGEMASS	410.5027
SMILES	C(CC(C(C2=O)=C(O)C(=C(C2(O)CC=C(C)C)O)CC=C(C)C)=O)c(c1)cccc1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox