Mol:FL3FALNI0002

From Metabolomics.JP
Jump to: navigation, search

FL3FALNI0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -2.0069    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0069   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4506   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8943   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8943    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4506    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3380   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2183   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2183    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3380    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3380   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7744    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3413    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9083    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9083    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3413    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7744    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5630    0.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4218    1.3618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8983   -0.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4544   -0.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0093   -0.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5630   -0.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0093   -1.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4506   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2076    1.4543    0.0000 O   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 
  7 11  2  0  0  0  0 
  9 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 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
 19 15  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
  3 25  1  0  0  0  0 
 17 26  1  0  0  0  0 
  8 20  1  0  0  0  0 
S  SKP  8 
ID	FL3FALNI0002 
KNApSAcK_ID	C00004024 
NAME	Albanin A 
CAS_RN	73343-42-7 
FORMULA	C20H18O6 
EXACTMASS	354.110338308 
AVERAGEMASS	354.35332 
SMILES	c(c(O)1)c(O)ccc1C(O3)=C(CC=C(C)C)C(=O)c(c32)c(cc(O)c2)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox