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Perillyl aldehyde metabolite 3
  Mrv2104 03132311132D

12 12  0  0  0  0            999 V2000
   -4.1741    0.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4596    0.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4596   -0.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1741   -0.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8886   -0.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8886    0.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8886   -1.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1741   -1.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4597   -1.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1741    1.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4596    2.1964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8886    2.1964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  0  0  0  0
  8  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  2  0  0  0  0
  3  2  1  0  0  0  0
  5  4  1  0  0  0  0
  4  3  1  0  0  0  0
 10 11  1  0  0  0  0
  2  1  1  0  0  0  0
 10 12  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 — 13 of approximately 13 results

PHUB000996 Score: 1.0	Perillic acid metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB001028 Score: 0.875	Myrtenic acid metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB002634 Score: 0.868	perillic acid methyl ester metabolite	C₁₁H₁₆O₂ Mono mass: 180.115029755
PHUB001004 Score: 0.855	p-mentha-1,8-dien-carboxylic-acid metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB000999 Score: 0.816	Perillic acid-8,9-diol metabolite	C₁₀H₁₆O₄ Mono mass: 200.104858995
PHUB000933 Score: 0.779	3,7-Dimethyl-2-octaen-1,8-dioic acid metabolite	C₁₀H₁₆O₄ Mono mass: 200.104858995
PHUB000934 Score: 0.779	3,7-Dimethyl-6-octaen-1,8-dioic acid metabolite	C₁₀H₁₆O₄ Mono mass: 200.104858995
PHUB001809 Score: 0.779	3,7-dimethyl-6-octenedioic acid metabolite	C₁₀H₁₆O₄ Mono mass: 200.104858995
PHUB001812 Score: 0.779	(6E)-3,7-dimethyl-6-octene-1,8-dioic acid metabolite	C₁₀H₁₆O₄ Mono mass: 200.104858995
PHUB000973 Score: 0.775	Carvonic acid metabolite	C₁₀H₁₂O₃ Mono mass: 180.078644246
PHUB000075 Score: 0.742	Perillyl alcohol metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000076 Score: 0.742	Perillyl aldehyde precursor	C₁₀H₁₄O Mono mass: 150.104465071
PHUB001022 Score: 0.742	Perillyl aldehyde metabolite 1 metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000993 Score: 0.701	Limonene-10-ol metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000974 Score: 0.7	Dihydrocarvonic acid metabolite	C₁₀H₁₄O₃ Mono mass: 182.094294311