Mol:FLIFWYNS0004

From Metabolomics.JP
Jump to: navigation, search

FLIFWYNS0004.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -1.7633   -0.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7633   -0.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2070   -0.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6507   -0.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6507   -0.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2070    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0944   -0.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4619   -0.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4619   -0.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0944    0.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0180   -0.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0180   -1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6128   -2.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2076   -1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2076   -0.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6128   -0.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0180    0.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0944   -1.6279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6192   -0.0222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3196    0.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2070   -1.6279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3194   -0.9856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3196    0.7783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6051    1.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6051    2.0158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8907    0.7783    0.0000 C   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 
  9 17  1  0  0  0  0 
  7 18  2  0  0  0  0 
 16 19  1  0  0  0  0 
 19 17  1  0  0  0  0 
 20  1  1  0  0  0  0 
  3 21  1  0  0  0  0 
  2 22  1  0  0  0  0 
 17 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 24 26  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  4  23  24  25  26 
M  SBL   1  1  26 
M  SMT   1 ^OCOCH3 
M  SBV   1 26   -4.4382    3.9017 
S  SKP  8 
ID	FLIFWYNS0004 
KNApSAcK_ID	C00009987 
NAME	Repenone;6a,12a-Dehydro-9,10,11-trihydroxy-6-acetoxyrotenone 
CAS_RN	128486-15-7 
FORMULA	C18H12O8 
EXACTMASS	356.05321735999996 
AVERAGEMASS	356.28308 
SMILES	O(c34)C(C(O1)=C(c3cccc4)C(c(c2O)c1cc(c2O)O)=O)OC(C)=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox