Mol:FL1C19NI0004

From Metabolomics.JP
Jump to: navigation, search

FL1C19NI0004.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 29  0  0  0  0  0  0  0  0999 V2000 
   -1.0457   -0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0457   -0.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4894   -1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0669   -0.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0669   -0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4894    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6232   -1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1795   -0.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7356   -1.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2917   -0.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8527   -1.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4137   -0.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4137   -0.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8527    0.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2917   -0.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6232   -1.7857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4894   -1.9267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3027   -0.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7464   -1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8588   -1.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4137   -0.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8588   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6018    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4894    0.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0455    0.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0455    1.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6016    1.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4894    1.9267    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 11  2  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 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
 17  3  1  0  0  0  0 
 18 19  1  0  0  0  0 
 18 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
  2 19  1  0  0  0  0 
  1 23  1  0  0  0  0 
  6 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 27  1  0  0  0  0 
 26 28  1  0  0  0  0 
S  SKP  8 
ID	FL1C19NI0004 
KNApSAcK_ID	C00007054 
NAME	Spinochalcone A 
CAS_RN	52601-08-8 
FORMULA	C25H28O3 
EXACTMASS	376.203844762 
AVERAGEMASS	376.48802 
SMILES	C(C)(C)=CCc(c1O)c(c(CC=C(C)C)cc1C(C=Cc(c2)cccc2)=O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox