Mol:FLIAALNI0011

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

FLIAALNI0011.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 33  0  0  0  0  0  0  0  0999 V2000
   -2.8761    1.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8761    0.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3198    0.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7635    0.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7635    1.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3198    1.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2072    0.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6509    0.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6509    1.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2072    1.6720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0948    0.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0948   -0.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0947   -0.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0947    0.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2072   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4322    1.6719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3198   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6889   -0.6425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6889    0.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2712    0.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8523    0.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4322    0.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8523    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    1.4169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0942   -1.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0942   -1.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0942   -0.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6712   -1.3190    0.0000 C   0  0  0  0  0  0  0  0  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 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 11  2  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  1  0  0  0  0
 13 21  1  0  0  0  0
 15 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
 16 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 29  1  0  0  0  0
 21 30  1  0  0  0  0
 30 31  2  0  0  0  0
S  SKP  8
ID	FLIAALNI0011
KNApSAcK_ID	C00009883
NAME	Fremontone;5,7,2',4'-Tetrahydroxy-3'-prenyl-5'-(1''',1'''-dimethylallyl)isoflavone
CAS_RN	124166-28-5
FORMULA	C25H26O6
EXACTMASS	422.172938564
AVERAGEMASS	422.47033999999996
SMILES	c(c(O)3)c(O2)c(c(O)c3)C(C(=C2)c(c1)c(O)c(c(c1C(C)(C)C=C)O)CC=C(C)C)=O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox