Mol:FLIC2LNP0001

From Metabolomics.JP
Jump to: navigation, search

FLIC2LNP0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 31  0  0  0  0  0  0  0  0999 V2000 
   -1.9490    0.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9490   -0.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3927   -0.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8364   -0.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8364    0.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3927    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2801   -0.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2762   -0.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2762    0.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2801    0.4724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8323   -0.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8323   -1.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4271   -1.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0219   -1.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0219   -0.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4271   -0.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5051    0.4722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2381   -1.8421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3927    1.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9490    1.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5051    1.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5051    1.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0787    0.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6750   -1.7113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0787   -1.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6750   -0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5051   -0.8122    0.0000 O   0  0  0  0  0  0  0  0  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 
  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 
  1  2  1  0  0  0  0 
  1 17  1  0  0  0  0 
 12 18  1  0  0  0  0 
  6 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 21 17  1  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
 14 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 15  1  0  0  0  0 
  2 27  1  0  0  0  0 
S  SKP  8 
ID	FLIC2LNP0001 
KNApSAcK_ID	C00009729 
NAME	Leiocinol 
CAS_RN	66446-89-7 
FORMULA	C21H20O6 
EXACTMASS	368.125988372 
AVERAGEMASS	368.37989999999996 
SMILES	c(O5)(c1)c(OC5)cc(c(C(C4)Cc(c2)c(O4)c(C=3)c(OC(C3)(C)C)c(O)2)1)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox