Mol:FL2FALNI0004

From Metabolomics.JP
Jump to: navigation, search

FL2FALNI0004.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 36 38  0  0  0  0  0  0  0  0999 V2000 
   -1.0992   -0.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0992   -1.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5429   -1.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0134   -1.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0134   -0.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5429   -0.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5697   -1.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1260   -1.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1260   -0.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5697   -0.6474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6821   -0.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2491   -0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8161   -0.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8161    0.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2491    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6821    0.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5697   -2.4760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5429   -2.5743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3831    0.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1153    0.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7171   -1.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2732   -1.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8281   -1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6555   -0.6474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3831   -1.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8281   -2.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5429    0.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0990    0.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0990    1.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6551    1.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6551    2.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0990    2.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2112    2.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6551    0.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6551   -0.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2112    0.6664    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 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 
  7 17  2  0  0  0  0 
  3 18  1  0  0  0  0 
 19 14  1  0  0  0  0 
 16 20  1  0  0  0  0 
  2 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 24  1  1  0  0  0  0 
 23 25  1  0  0  0  0 
 23 26  1  0  0  0  0 
  6 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
 30 31  2  0  0  0  0 
 31 32  1  0  0  0  0 
 31 33  1  0  0  0  0 
 28 34  1  0  0  0  0 
 34 35  1  0  0  0  0 
 34 36  2  0  0  0  0 
S  SKP  8 
ID	FL2FALNI0004 
KNApSAcK_ID	C00008336 
NAME	Kushenol B 
CAS_RN	99217-64-8 
FORMULA	C30H36O6 
EXACTMASS	492.251188884 
AVERAGEMASS	492.60324 
SMILES	c(c13)(C(=O)CC(O3)c(c(O)2)ccc(O)c2)c(c(c(c1CC(CC=C(C)C)C(C)=C)O)CC=C(C)C)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox