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Mrv2104 06072104242D

28 30  0  0  0  0            999 V2000
   -4.3607    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0752    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0752    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3607    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6462    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6462    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2173    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5029    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5029   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9318   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9318    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7884    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7884   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0739   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0739    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7897    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7897    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7897   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2173    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7884   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0739   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6405    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9318    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5029    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3550    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7839    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 13  2  0  0  0  0
  8  9  1  0  0  0  0
 12  8  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
 17 18  1  0  0  0  0
  7 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 15 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 22 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  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 — 5 of approximately 5 results

PHUB000573 Score: 1.0	8,5'-Benzofuran diferulic acid precursor	C₂₀H₁₈O₈ Mono mass: 386.10016754
PHUB000317 Score: 0.746	Viniferin (delta-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB001570 Score: 0.745	Rheumlhasol B precursor	C₄₂H₃₂O₉ Mono mass: 680.20463261
PHUB002861 Score: 0.72	Gnetin L precursor metabolite	C₂₉H₂₄O₇ Mono mass: 484.152203113
PHUB001574 Score: 0.71	Gnetin C precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428