Mol:FLIAALNI0006

From Metabolomics.JP
Jump to: navigation, search

FLIAALNI0006.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 33  0  0  0  0  0  0  0  0999 V2000 
   -1.4496    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4496    1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8933    0.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3370    1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3370    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8933    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2193    0.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7756    1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7756    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2193    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3317    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3317    0.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9265   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5213    0.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5213    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9265    1.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2193    0.2587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8933    0.2587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1155   -0.1289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0057    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9265   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0057    2.1854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0057    0.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5606   -0.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5606   -0.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1155    0.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5207   -1.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5207   -1.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9277   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1137   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7375   -0.1289    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  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  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 
  3 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
  2 20  1  0  0  0  0 
 13 21  1  0  0  0  0 
  1 22  1  0  0  0  0 
 20 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 
 12 31  1  0  0  0  0 
S  SKP  8 
ID	FLIAALNI0006 
KNApSAcK_ID	C00009523 
NAME	Angustone A;5,7,2',4'-Tetrahydroxy-6,3'-diprenylisoflavone 
CAS_RN	90686-13-8 
FORMULA	C25H26O6 
EXACTMASS	422.172938564 
AVERAGEMASS	422.47033999999996 
SMILES	c(c13)c(c(c(c(C(C(=CO3)c(c2)c(c(c(c2)O)CC=C(C)C)O)=O)1)O)CC=C(C)C)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox