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Mrv2104 05262313282D

23 24  0  0  0  0            999 V2000
   -3.6383    0.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3528    0.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3528   -0.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6383   -0.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9238   -0.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9238    0.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2094    0.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4248    0.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103    1.1388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0041    0.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0041   -0.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7186    1.1388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6383   -1.4937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0673   -0.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7578   -0.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8440   -1.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5978   -1.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2651   -1.1053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1790   -0.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4252    0.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8464    0.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1765   -1.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2628   -2.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  4 13  1  0  0  0  0
  3 14  1  0  0  0  0
 11 15  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 16 22  2  0  0  0  0
 22 23  1  0  0  0  0
 19 21  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 — 6 of approximately 6 results

PHUB003010 Score: 1.0	3,4-DHPEA-EDAH2 metabolite	C₁₇H₂₂O₆ Mono mass: 322.141638428
PHUB001700 Score: 0.81	3,4-DHPEA-EDA precursor	C₁₇H₂₀O₆ Mono mass: 320.125988364
PHUB001376 Score: 0.754	Oleocanthal 289030-99-5 precursor	C₁₇H₂₀O₅ Mono mass: 304.131073744
PHUB001701 Score: 0.754	p-HPEA-EDA precursor	C₁₇H₂₀O₅ Mono mass: 304.131073744
PHUB001702 Score: 0.754	p-HPEA-EA precursor	C₁₇H₂₀O₅ Mono mass: 304.131073744
PHUB001685 Score: 0.708	Oleuropein-aglycone 31773-95-2 precursor	C₁₉H₂₂O₈ Mono mass: 378.131467668
PHUB001699 Score: 0.708	3,4-DHPEA-EA precursor	C₁₉H₂₂O₈ Mono mass: 378.131467668