Mol:FLIA1ANI0003

From Metabolomics.JP
Jump to: navigation, search

FLIA1ANI0003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.0709    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0709    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5146    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0417    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0417    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5146    1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5980    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1543    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1543    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5980    1.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7104    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7104   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3052   -1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9000   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9000    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3052    0.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6270    1.2950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5980   -0.6350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1831    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7392    1.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2953    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2953    0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8514    1.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7660   -1.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6321   -1.6763    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 
  1 17  1  0  0  0  0 
  7 18  2  0  0  0  0 
 17 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 
 14 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  26 
M  SMT   1  OCH3 
M  SVB   1 26    3.1369   -0.8826 
S  SKP  8 
ID	FLIA1ANI0003 
KNApSAcK_ID	C00009810 
NAME	Maximaisoflavone J;7-Prenyloxy-4'-methoxyisoflavone 
CAS_RN	16277-87-5 
FORMULA	C21H20O4 
EXACTMASS	336.136159128 
AVERAGEMASS	336.38109999999995 
SMILES	c(c1)c(cc(O3)c(C(C(=C3)c(c2)ccc(OC)c2)=O)1)OCC=C(C)C 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox