Chemical Structure Search

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Mrv2104 10032322342D

12 12  0  0  0  0            999 V2000
   14.4757   -8.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4760   -9.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1908   -9.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0678  -10.2326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6553   -9.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9433   -9.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2288   -9.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5190   -9.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5138   -8.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8044   -9.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0897   -9.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3752   -9.5188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4  5  1  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
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  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 — 4 of approximately 4 results

PHUB003089 Score: 1.0	6,7-epoxygeranial metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB003088 Score: 0.828	6,7-epoxygeraniol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001848 Score: 0.721	Limonene-8,9-epoxide 184488-93-5 metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB002627 Score: 0.721	8,9-epoxy-p-menth-1ene metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB001846 Score: 0.716	Limonene-1,2-epoxide metabolite	C₁₀H₁₆O Mono mass: 152.120115135