Mol:PBX00040

From Metabolomics.JP
Jump to: navigation, search

PBX00040.png

 
 OpenBabel10130914012D 
 
 12 13  0  0  0  0  0  0  0  0999 V2000 
  903.5034 -523.8527    0.0000 C   0  0  0  0  0 
 1081.8584 -626.8254    0.0000 C   0  0  0  0  0 
 1081.8583 -832.7717    0.0000 C   0  0  0  0  0 
  725.1494 -626.8254    0.0000 C   0  0  0  0  0 
  725.1494 -832.7716    0.0000 C   0  0  0  0  0 
  903.5034 -935.7446    0.0000 C   0  0  0  0  0 
  572.1014 -970.5765    0.0000 C   0  0  0  0  0 
  860.6847-1137.1907    0.0000 N   0  0  0  0  0 
  655.8672-1158.7174    0.0000 C   0  0  0  0  0 
  998.4896-1290.2380    0.0000 C   0  0  0  0  0 
 1199.9349-1247.4199    0.0000 C   0  0  0  0  0 
  934.8489-1486.1042    0.0000 O   0  0  0  0  0 
  1  2  2  0  0  0 
  1  4  1  0  0  0 
  2  3  1  0  0  0 
  3  6  2  0  0  0 
  4  5  2  0  0  0 
  5  6  1  0  0  0 
  5  7  1  0  0  0 
  6  8  1  0  0  0 
  7  9  2  0  0  0 
  8  9  1  0  0  0 
  8 10  1  0  0  0 
 10 11  1  0  0  0 
 10 12  2  0  0  0 
S  SKP  6 
NAME	N-Acetylindole 
ID	PBX00040 
FORMULA	C10H9NO 
EXACTMASS	159.068413915 
AVERAGEMASS	159.18460000000002 
SMILES	CC(=O)n(c1)c(c2)c(ccc2)c1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox