Mol:FLIC1LNI0001

From Metabolomics.JP
Jump to: navigation, search

FLIC1LNI0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -2.0045    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0045    1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4482    0.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8919    1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8919    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4482    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3356    0.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2207    1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2207    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3356    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7768    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7768    0.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9664    0.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9664    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716    1.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5606    2.1854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5606   -0.1289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9658   -1.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9658   -1.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3728   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5588   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0623    0.2836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7768   -0.1289    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  1  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 
 14 18  1  0  0  0  0 
 13 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 
 12 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  SBV   1 26   -5.9117    3.7901 
S  SKP  8 
ID	FLIC1LNI0001 
KNApSAcK_ID	C00009727 
NAME	2'-O-Methylphaseollidinisoflavan 
CAS_RN	56257-28-4 
FORMULA	C21H24O4 
EXACTMASS	340.167459256 
AVERAGEMASS	340.41285999999997 
SMILES	C(c(c1OC)c(ccc(C(C2)Cc(c3)c(cc(O)c3)O2)1)O)C=C(C)C 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox