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Mrv2104 02212314352D

13 13  0  0  0  0            999 V2000
   -0.2232    1.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9378    1.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9378    0.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2232   -0.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4912    0.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4912    1.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2232    2.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9377    2.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4912    2.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2232   -0.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9377   -1.2813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4912   -1.2813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9377   -2.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  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 — 3 of approximately 3 results

PHUB002633 Score: 1.0	dihydroperillic acid methyl ester metabolite	C₁₁H₁₈O₂ Mono mass: 182.13067982
PHUB001000 Score: 0.857	Dihydroperillic acid (trans-) metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB001001 Score: 0.857	Dihydroperillic acid (cis-) metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755