Chemical Structure Search

Search by chemical structure

Mrv2104 01062314232D

17 18  0  0  1  0            999 V2000
    0.0000   -0.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.3938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.3938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6686    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6674   -2.1536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674   -2.1536    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4125   -2.9382    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4125   -2.9382    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4521   -1.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8974   -3.6056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8974   -3.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5619   -4.3593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  1  2  1  0  0  0  0
  2 13  2  0  0  0  0
  1  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  6  0  0  0
 10 16  1  1  0  0  0
 10 11  1  0  0  0  0
 11 14  1  6  0  0  0
 16 17  1  0  0  0  0
M  END

Search Options

Similarity

Substructure

Exact

Similarity threshold

Minimum Weight

Maximum Weight

Maximum Results

Filter Entry Types (default all):
PrecursorsMetabolites

Load example MarvinJS Tutorials

(+)-Catechin
  Mrv1572001071604202D

21 23  0  0  1  0            999 V2000
    2.0414   -2.6714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269   -2.2589    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6125   -2.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1020   -2.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165   -2.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165   -3.4964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -2.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2454   -1.0214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165   -1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1020   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -1.0214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7559    0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1848    0.2161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7559   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1848   -1.4339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  4 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 13  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 14 20  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 10 11  1  0  0  0  0
  8  7  1  0  0  0  0
  4  5  1  0  0  0  0
M  END

Results 1 — 1 of approximately 1 results

PHUB003038 Score: 1.0		Pseudouridine 1445-07-4 precursor	C₉H₁₂N₂O₆ Mono mass: 244.069536114