Mol:FL4DDANP0001

From Metabolomics.JP
Jump to: navigation, search

FL4DDANP0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -1.2989   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7780   -1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2572   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2572   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7780    0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2989   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2637   -1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7846   -0.9016    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    0.7846   -0.3001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    0.2637    0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3050    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2637   -1.7262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8393   -0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3737    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3737    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8393    0.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3050    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9072    0.9253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7780   -1.8032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8198    0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7780    0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2984    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2984    1.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8188    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7780    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3407   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3407   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8198   -1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7188    0.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9072   -0.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6506   -1.4016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5166   -1.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  3  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  4  1  0  0  0  0 
  9 11  1  6  0  0  0 
  7 12  2  0  0  0  0 
 11 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 17  2  0  0  0  0 
 17 11  1  0  0  0  0 
 15 18  1  0  0  0  0 
  2 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
  5 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
 20 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28  1  1  0  0  0  0 
 26 29  1  0  0  0  0 
 26 30  1  0  0  0  0 
  8 31  1  1  0  0  0 
 31 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1  OCH3 
M  SVB   1 34    0.9478   -1.1079 
S  SKP  8 
ID	FL4DDANP0001 
KNApSAcK_ID	C00008623 
NAME	3-O-methyllupinifolinol 
CAS_RN	120211-96-3 
FORMULA	C26H28O6 
EXACTMASS	436.188588628 
AVERAGEMASS	436.49692 
SMILES	CO[C@H]([C@H]3c(c4)ccc(O)c4)C(c(c(O3)1)c(c(C=2)c(OC(C)(C)C2)c(CC=C(C)C)1)O)=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox