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Mrv2104 06072104232D

11 11  0  0  0  0            999 V2000
    1.2670    3.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5525    2.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5525    1.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2670    1.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9814    1.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9814    2.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2670    3.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9814    4.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5525    4.3018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1620    1.4143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1620    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  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

PHUB000532 Score: 1.0	3-Methoxyacetophenone precursor	C₉H₁₀O₂ Mono mass: 150.068079562
PHUB000645 Score: 0.746	Vanillin 121-33-5 precursor	C₈H₈O₃ Mono mass: 152.047344118
PHUB000599 Score: 0.738	Danielone 90426-22-5 precursor	C₁₀H₁₂O₅ Mono mass: 212.068473486
PHUB001998 Score: 0.716	isovanillin 621-59-0 metabolite	C₈H₈O₃ Mono mass: 152.047344118
PHUB000539 Score: 0.701	4-Ethylguaiacol precursor	C₉H₁₂O₂ Mono mass: 152.083729626