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Carpaine
  Mrv2104 06072104262D

34 36  0  0  1  0            999 V2000
   14.8474   -5.4267    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.8509   -4.5987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.1294   -5.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5551   -5.8355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1362   -4.1796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5585   -4.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4148   -5.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5551   -6.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4183   -4.5919    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8405   -7.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2696   -7.0723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7037   -4.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1294   -6.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9891   -4.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4148   -7.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2814   -4.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7003   -6.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5669   -4.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9856   -7.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8522   -4.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2745   -6.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1378   -4.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5703   -7.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4232   -4.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8591   -6.6532    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7120   -4.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1446   -7.0654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8591   -5.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7120   -5.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9905   -4.1762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4301   -6.6532    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1446   -5.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4301   -5.8252    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7120   -7.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  1  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 25 23  1  1  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  2  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 33 29  1  1  0  0  0
 31 34  1  1  0  0  0
  7  9  1  0  0  0  0
 31 33  1  0  0  0  0
 32 33  1  0  0  0  0
M  END

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(+)-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

PHUB000838 Score: 1.0		Carpaine precursor	C₂₈H₅₀N₂O₄ Mono mass: 478.377058098