Mol:FLIFHXNF0007

From Metabolomics.JP
Jump to: navigation, search

FLIFHXNF0007.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 35  0  0  0  0  0  0  0  0999 V2000 
   -1.8722    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8722   -0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3159   -0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7596   -0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7596    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3159    0.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2033   -0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3530   -0.4174    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.3530    0.2250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.2033    0.5462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9091   -0.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9091   -1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5039   -1.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0987   -1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0987   -0.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5039   -0.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5715   -1.2645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5309    0.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9093    0.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4495    1.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0883    1.2417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -2.3496    0.6548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4094    1.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0890    2.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0501    1.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0865   -1.9402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8010   -2.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3228   -0.7732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0666   -1.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0987   -1.4252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0987   -1.4252    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 
  7 17  2  0  0  0  0 
 16 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19  9  1  0  0  0  0 
  1  2  1  0  0  0  0 
  6 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22  1  1  0  0  0  0 
 21 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 23 25  1  0  0  0  0 
 13 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
  8 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 14 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  30  31 
M  SBL   3  1  34 
M  SMT   3  OCH3 
M  SVB   3 34    2.3356   -1.6315 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  28  29 
M  SBL   2  1  32 
M  SMT   2  OCH3 
M  SVB   2 32    0.1752   -0.7272 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  30 
M  SMT   1  OCH3 
M  SVB   1 30    1.0865   -1.9402 
S  SKP  8 
ID	FLIFHXNF0007 
KNApSAcK_ID	C00009589 
NAME	12a-Methoxyrotenone 
CAS_RN	54534-95-1 
FORMULA	C24H24O7 
EXACTMASS	424.152203122 
AVERAGEMASS	424.44316000000003 
SMILES	c(c4)(O5)c(CC5C(C)=C)c(c3c4)OC(C2)C(OC)(C3=O)c(c1O2)cc(OC)c(OC)c1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox