Mol:PBX00042

From Metabolomics.JP
Jump to: navigation, search

PBX00042.png

 
 OpenBabel10130914012D 
 
 14 15  0  0  0  0  0  0  0  0999 V2000 
  963.1608 -574.3859    0.0000 C   0  0  0  0  0 
 1141.5156 -677.3591    0.0000 C   0  0  0  0  0 
 1141.5156 -883.3055    0.0000 C   0  0  0  0  0 
  784.8060 -677.3591    0.0000 C   0  0  0  0  0 
  784.8060 -883.3055    0.0000 C   0  0  0  0  0 
  963.1608 -986.2787    0.0000 C   0  0  0  0  0 
  631.7580-1021.1105    0.0000 C   0  0  0  0  0 
  920.3422-1187.7247    0.0000 N   0  0  0  0  0 
  715.5239-1209.2520    0.0000 C   0  0  0  0  0 
  430.3120 -978.2918    0.0000 C   0  0  0  0  0 
  366.6711 -782.4251    0.0000 O   0  0  0  0  0 
  963.1608 -368.4395    0.0000 O   0  0  0  0  0 
 1141.5156 -265.4663    0.0000 C   0  0  0  0  0 
  292.5070-1131.3397    0.0000 H   0  0  0  0  0 
  1  2  2  0  0  0 
  1  4  1  0  0  0 
  1 12  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 
  7 10  1  0  0  0 
  8  9  1  0  0  0 
 10 11  2  0  0  0 
 10 14  1  0  0  0 
 12 13  1  0  0  0 
S  SKP  6 
NAME	5-methoxyindole-3-carbaldehyde 
ID	PBX00042 
FORMULA	C10H9NO2 
EXACTMASS	175.063328537 
AVERAGEMASS	175.184 
SMILES	COc(c2)cc(c(C([H])=O)1)c(c2)nc1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox