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Mrv2104 03172315392D

17 17  0  0  1  0            999 V2000
    1.0775    0.1973    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7808    0.6291    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4840    0.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4840   -0.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7808   -1.0363    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0775   -0.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3742    0.5922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7808   -1.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0775    1.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7808    1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4840    1.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3353    0.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0549    0.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7644    0.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4840    0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7545   -0.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3254   -0.6540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  1  0  0  0
  3  2  1  0  0  0  0
  2 10  1  6  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  5  8  1  1  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  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

PHUB002812 Score: 1.0	Menthyl isovalerate 16409-46-4 precursor	C₁₅H₂₈O₂ Mono mass: 240.208930142
PHUB000064 Score: 0.875	Menthyl acetate 5157-89-1 precursor	C₁₂H₂₂O₂ Mono mass: 198.161979948
PHUB002057 Score: 0.757	20-nor-cofaryloside I precursor	C₂₀H₃₀O₄ Mono mass: 334.214409446
PHUB001802 Score: 0.708	1,4-cineol-9-carboxylic acid metabolite	C₁₀H₁₆O₃ Mono mass: 184.109944375