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Mrv2104 09282319432D

12 13  0  0  0  0            999 V2000
    9.2378   -8.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4129   -8.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8266   -9.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4129   -7.8936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6228   -7.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6208   -6.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8413   -7.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8413   -8.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1275   -9.2127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6228   -9.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9602   -8.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9527   -8.0697    0.0000 C   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 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  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 — 7 of approximately 7 results

PHUB003052 Score: 1.0	3-oxo-1,8-cineole metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB001814 Score: 0.737	6-endo-hydroxyfenchone 851210-94-1 metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB001815 Score: 0.737	6-exo-hydroxyfenchone 851210-93-0 metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB003049 Score: 0.735	2-oxo-1,8-cineole 66965-44-4 metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB001802 Score: 0.719	1,4-cineol-9-carboxylic acid metabolite	C₁₀H₁₆O₃ Mono mass: 184.109944375
PHUB000034 Score: 0.709	Cineol (1,8-) precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB001840 Score: 0.709	1,8-cineole precursor	C₁₀H₁₈O Mono mass: 154.1357652