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Cineol (1,8)-
  Mrv2104 06072104182D

11 12  0  0  0  0            999 V2000
   23.0260   -9.4412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1081   -8.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4437   -8.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5205  -11.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6217   -9.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6986  -10.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8766  -10.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9587  -11.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5072  -11.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1632  -10.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1368  -10.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  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 — 12 of approximately 12 results

PHUB000034 Score: 1.0	Cineol (1,8-) precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB001840 Score: 1.0	1,8-cineole precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB001795 Score: 0.907	3-hydroxy-1,8-cineol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001842 Score: 0.907	3-hydroxy-1,8-cineole metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001797 Score: 0.897	1,4-cineol precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB001796 Score: 0.867	9-hydroxy-1,8-cineol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001843 Score: 0.867	9-hydroxy-1,8-cineole metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001801 Score: 0.833	9-hydroxy-1,4-cineol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001794 Score: 0.813	2-hydroxy-1,8-cineol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001841 Score: 0.813	2-hydroxy-1,8-cineole metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001780 Score: 0.7	(+)-Borneol 464-43-7 precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB001786 Score: 0.7	Isoborneol metabolite	C₁₀H₁₈O Mono mass: 154.1357652
PHUB001798 Score: 0.7	3,8-dihydroxy-1,4-cineol metabolite	C₁₀H₁₈O₃ Mono mass: 186.12559444
PHUB001799 Score: 0.7	8,9-dihydroxy-1,4-cineol metabolite	C₁₀H₁₈O₃ Mono mass: 186.12559444
PHUB001803 Score: 0.7	2-exo-hydroxy-1,4-cineol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB002859 Score: 0.7	(-)-borneol 464-45-9 precursor	C₁₀H₁₈O Mono mass: 154.1357652