Mol:FL1CHYNS0010

From Metabolomics.JP
Jump to: navigation, search

FL1CHYNS0010.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -3.2658    0.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2658   -0.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5513   -0.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8369   -0.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8369    0.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5513    0.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1224   -0.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1224   -1.4779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4079   -0.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3065   -0.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0210   -0.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7355   -0.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4500   -0.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4500    0.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7355    0.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0210    0.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3065   -1.4779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2867   -1.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7229    1.8041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5433    1.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8789    1.1367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3065    0.9971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4079    0.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1644    0.9971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8789    0.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7355   -1.4779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4500   -1.8904    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 
  4  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 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 
 10 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
  6 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21  1  1  0  0  0  0 
 16 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 14 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 12 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
S  SKP  8 
ID	FL1CHYNS0010 
KNApSAcK_ID	C00014439 
NAME	3',4'-Methylenedioxy-2,4,6,beta-tetramethoxychalcone 
CAS_RN	622851-67-6 
FORMULA	C20H20O7 
EXACTMASS	372.120902994 
AVERAGEMASS	372.3686 
SMILES	COC(=CC(=O)c(c3)cc(c(c3)2)OCO2)c(c1OC)c(cc(c1)OC)OC 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox