Mol:FLIDHXNF0001

From Metabolomics.JP
Jump to: navigation, search

FLIDHXNF0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 29  0  0  0  0  0  0  0  0999 V2000 
   -2.0196    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0196    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4633   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9070    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9070    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4633    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3507   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2056    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2056    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3507    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7617   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7617   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3565   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9512   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9512   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3565    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3449   -0.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7589    0.5133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6044   -1.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0081   -0.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6044    0.0850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6306    1.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0081    0.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6306   -0.0046    0.0000 C   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  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  1  0  0  0  0 
  1  2  1  0  0  0  0 
 12 17  1  0  0  0  0 
  8 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 15  1  0  0  0  0 
  1 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24  2  1  0  0  0  0 
S  SKP  8 
ID	FLIDHXNF0001 
KNApSAcK_ID	C00009682 
NAME	Neobanol 
CAS_RN	61419-04-3 
FORMULA	C18H12O6 
EXACTMASS	324.063388116 
AVERAGEMASS	324.28427999999997 
SMILES	c(c56)c(O1)c(cc5OCO6)C(C4)(C1c(c3)c(O4)cc(c32)occ2)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox