Mol:FL2FAANP0001

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

FL2FAANP0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.1306    0.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1306   -0.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5743   -0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0180   -0.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0180    0.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5743    0.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383   -0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0946   -0.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0946    0.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383    0.3478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6507    0.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2177    0.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    0.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    1.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2177    1.3297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6507    1.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383   -1.4807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3514    1.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6867   -0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2416   -0.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7965   -0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7965   -1.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3514   -0.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5743    0.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1306    1.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6869    0.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6869    0.3478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0269    1.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2959    0.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5743   -1.5790    0.0000 O   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
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27  1  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  3 30  1  0  0  0  0
S  SKP  8
ID	FL2FAANP0001
KNApSAcK_ID	C00008249
NAME	Cajaflavanone
CAS_RN	68236-12-4
FORMULA	C25H26O5
EXACTMASS	406.178023942
AVERAGEMASS	406.47094
SMILES	c(c13)(C(=O)CC(c(c4)ccc(c4)O)O3)c(c(CC=C(C)C)c(O2)c(C=CC2(C)C)1)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox