Human Metabolome Database: ChemQuery Search by structure

Structure Search

Mrv0541 05091310432D

12 12  0  0  1  0            999 V2000
   17.1988  -11.5484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3550  -12.3884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4876  -15.6605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0750  -14.3908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2289  -12.8834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3850  -13.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0495  -12.9697    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9001  -14.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1550  -15.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8201  -15.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5344  -12.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4876  -16.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  2  0  0  0  0
  7  5  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
M  END