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Mrv2104 06072104322D

12 13  0  0  0  0            999 V2000
    0.9475    1.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6683    0.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4789    0.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6683   -0.1825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0509   -0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0509   -1.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0885   -0.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0885    0.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0509    1.0575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7649    0.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7649   -0.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4789   -0.5958    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 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 — 11 of approximately 11 results

PHUB001794 Score: 1.0	2-hydroxy-1,8-cineol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001841 Score: 1.0	2-hydroxy-1,8-cineole metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001796 Score: 0.938	9-hydroxy-1,8-cineol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001843 Score: 0.938	9-hydroxy-1,8-cineole metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000034 Score: 0.813	Cineol (1,8-) precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB001840 Score: 0.813	1,8-cineole precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB001798 Score: 0.808	3,8-dihydroxy-1,4-cineol metabolite	C₁₀H₁₈O₃ Mono mass: 186.12559444
PHUB001799 Score: 0.808	8,9-dihydroxy-1,4-cineol metabolite	C₁₀H₁₈O₃ Mono mass: 186.12559444
PHUB001803 Score: 0.808	2-exo-hydroxy-1,4-cineol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001795 Score: 0.75	3-hydroxy-1,8-cineol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001842 Score: 0.75	3-hydroxy-1,8-cineole metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001797 Score: 0.729	1,4-cineol precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000058 Score: 0.71	Linalool oxide (cis-pyran) precursor	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000061 Score: 0.71	Linalool oxide (trans-pyran) precursor	C₁₀H₁₈O₂ Mono mass: 170.13067982