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Mrv2104 06072104312D

24 24  0  0  0  0            999 V2000
   -3.0492    3.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5091    3.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7019    5.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2420    6.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517    4.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2391    5.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5415    5.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6217    6.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3488    4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8918    5.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6990    3.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1589    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9720    6.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1618    6.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1913    4.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5091    5.8855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6188    2.6113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5119    7.4446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8918    7.7564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0787    5.4177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0015    4.4823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7792    4.4823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  2  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
 12  3  1  0  0  0  0
 12  6  1  0  0  0  0
 12  9  2  0  0  0  0
 13  2  2  0  0  0  0
 13 11  1  0  0  0  0
 14  5  1  0  0  0  0
 14 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15  4  1  0  0  0  0
 16  9  1  0  0  0  0
 16 15  2  0  0  0  0
 17 10  1  0  0  0  0
 18  7  2  0  0  0  0
 19 11  2  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  2  0  0  0  0
 23  8  1  0  0  0  0
 23 17  1  0  0  0  0
 24  2  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 — 4 of approximately 4 results

PHUB001700 Score: 1.0	3,4-DHPEA-EDA precursor	C₁₇H₂₀O₆ Mono mass: 320.125988364
PHUB001376 Score: 0.934	Oleocanthal 289030-99-5 precursor	C₁₇H₂₀O₅ Mono mass: 304.131073744
PHUB001701 Score: 0.934	p-HPEA-EDA precursor	C₁₇H₂₀O₅ Mono mass: 304.131073744
PHUB001702 Score: 0.934	p-HPEA-EA precursor	C₁₇H₂₀O₅ Mono mass: 304.131073744
PHUB003010 Score: 0.81	3,4-DHPEA-EDAH2 metabolite	C₁₇H₂₂O₆ Mono mass: 322.141638428