Chemical Structure Search

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Myristicin
  Mrv2104 06072104312D

14 15  0  0  0  0            999 V2000
    5.9797    0.0450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9797   -1.2826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4845    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7701   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1989   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1989   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4845    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4845   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7701   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0556   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4611   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3410   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7701    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6266   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
 10 12  1  0  0  0  0
 12 14  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

PHUB001682 Score: 1.0	Myristicin precursor	C₁₁H₁₂O₃ Mono mass: 192.078644246
PHUB001676 Score: 0.897	Dillapiole precursor	C₁₂H₁₄O₄ Mono mass: 222.089208931
PHUB001706 Score: 0.874	Safrole precursor metabolite	C₁₀H₁₀O₂ Mono mass: 162.068079562
PHUB001906 Score: 0.793	Elemicin 487-11-6 precursor	C₁₂H₁₆O₃ Mono mass: 208.109944375
PHUB001907 Score: 0.782	Methoxyeugenol 6627-88-9 precursor metabolite	C₁₁H₁₄O₃ Mono mass: 194.094294311
PHUB000606 Score: 0.713	Eugenol precursor	C₁₀H₁₂O₂ Mono mass: 164.083729626