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Mrv2104 09182121062D

14 14  0  0  0  0            999 V2000
   13.2028   -9.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4884   -9.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7739   -9.0704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0595   -9.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0595  -10.3080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3450   -9.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6305   -9.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9161   -9.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9161   -8.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6305   -7.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3450   -8.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2028   -8.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9173   -9.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4884  -10.3080    0.0000 O   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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  1 12  2  0  0  0  0
  1 13  1  0  0  0  0
  2 14  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 — 3 of approximately 3 results

PHUB001176 Score: 1.0	α-hydroxyhippuric acid 16555-77-4 metabolite	C₉H₉NO₄ Mono mass: 195.053157774
PHUB001174 Score: 0.826	Hippuric acid 495-69-2 metabolite	C₉H₉NO₃ Mono mass: 179.058243154
PHUB001334 Score: 0.735	4-Hydroxyhippuric acid 2482-25-9 metabolite	C₉H₉NO₄ Mono mass: 195.053157774