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Mrv2104 09282317422D

12 14  0  0  0  0            999 V2000
   10.9454  -11.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7652  -11.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3531  -11.9089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5623  -11.4080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7700   -9.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5670  -10.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8843   -8.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1703   -8.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9831   -9.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7855   -8.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6101   -8.2568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1980   -8.9705    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  9  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  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  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 — 14 of approximately 14 results

PHUB003046 Score: 1.0	2,3-epoxy-1,8-cineole metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB001794 Score: 0.8	2-hydroxy-1,8-cineol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001841 Score: 0.8	2-hydroxy-1,8-cineole 60761-00-4 metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB003047 Score: 0.8	2-alpha-hydroxy-1,8-cineole metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB003048 Score: 0.8	2-beta-hydroxy-1,8-cineole metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB003053 Score: 0.8	4-hydroxy-1,8-cineole metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001798 Score: 0.767	3,8-dihydroxy-1,4-cineol metabolite	C₁₀H₁₈O₃ Mono mass: 186.12559444
PHUB001799 Score: 0.767	8,9-dihydroxy-1,4-cineol 118215-86-4 metabolite	C₁₀H₁₈O₃ Mono mass: 186.12559444
PHUB001803 Score: 0.767	2-exo-hydroxy-1,4-cineol 103834-29-3 metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001796 Score: 0.75	9-hydroxy-1,8-cineol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001843 Score: 0.75	9-hydroxy-1,8-cineole metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB003057 Score: 0.75	7-hydroxy-1,8-cineole 135521-14-1 metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001795 Score: 0.717	3-hydroxy-1,8-cineol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001842 Score: 0.717	3-hydroxy-1,8-cineole metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB003050 Score: 0.717	3-alpha-hydroxy-1,8-cineole metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB003051 Score: 0.717	3-beta-hydroxy-1,8-cineole metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB003066 Score: 0.71	Pinene oxide (alpha-) 1686-14-2 metabolite	C₁₀H₁₆O Mono mass: 152.120115135