Mol:FLIF1LNF0002

From Metabolomics.JP
Jump to: navigation, search

FLIF1LNF0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 30  0  0  0  0  0  0  0  0999 V2000 
   -1.7464    1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7464    0.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1901    0.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6338    0.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6338    1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1901    1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0775    0.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4788    0.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4788    1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0775    1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0349    0.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0349   -0.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6297   -0.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2245   -0.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2245    0.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6297    0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0775   -0.3977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6567    1.2080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0351    1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3573    1.4065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7349    0.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3573    0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7725   -1.4574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4555   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7349   -0.9018    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  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  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 11  2  0  0  0  0 
  7 17  2  0  0  0  0 
 16 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19  9  1  0  0  0  0 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22  2  1  0  0  0  0 
 13 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 14  1  0  0  0  0 
S  SKP  8 
ID	FLIF1LNF0002 
KNApSAcK_ID	C00009568 
NAME	Dolineone;Dolichone 
CAS_RN	10065-28-8 
FORMULA	C19H12O6 
EXACTMASS	336.063388116 
AVERAGEMASS	336.29498 
SMILES	c(c56)c(c4cc5occ6)C(C(C(O4)3)c(c2)c(OC3)cc(c21)OCO1)=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox