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Mrv2104 06072104312D

27 28  0  0  0  0            999 V2000
   -3.9385   -4.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6529   -5.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6529   -5.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9385   -6.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2240   -5.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2240   -5.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3674   -4.5953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3674   -6.2453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5096   -4.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7951   -5.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0806   -4.5953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3661   -5.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483   -4.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0628   -5.0077    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7773   -4.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0628   -5.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7773   -6.2454    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4917   -5.8329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -5.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483   -6.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7773   -3.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -3.3578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0628   -3.3578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -2.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7773   -7.0704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483   -7.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3661   -5.8328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 15 14  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 17 25  1  1  0  0  0
 14 13  1  6  0  0  0
 20 26  1  0  0  0  0
 12 27  2  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 — 6 of approximately 6 results

PHUB001685 Score: 1.0	Oleuropein-aglycone 31773-95-2 precursor	C₁₉H₂₂O₈ Mono mass: 378.131467668
PHUB001699 Score: 1.0	3,4-DHPEA-EA precursor	C₁₉H₂₂O₈ Mono mass: 378.131467668
PHUB000074 Score: 0.793	Oleuropein 32619-42-4 precursor	C₂₅H₃₂O₁₃ Mono mass: 540.18429109
PHUB001675 Score: 0.788	Demethyloleuropein precursor	C₂₄H₃₀O₁₃ Mono mass: 526.168641026
PHUB001694 Score: 0.772	Ligstroside precursor	C₂₅H₃₂O₁₂ Mono mass: 524.18937647
PHUB003010 Score: 0.708	3,4-DHPEA-EDAH2 metabolite	C₁₇H₂₂O₆ Mono mass: 322.141638428