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Mrv2104 05032310272D

14 15  0  0  0  0            999 V2000
   -0.9375    0.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6519    0.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6519   -0.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -0.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2230   -0.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2230    0.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5615   -0.6005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0464    0.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5616    0.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8163   -1.3852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2642   -1.9982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    1.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2647    2.1320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6237    1.6902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  8  9  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  5  7  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 14  1  0  0  0  0
 12 13  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 — 1 of approximately 1 results

PHUB002951 Score: 1.0		methoxy-indole-3-carboxylic acid metabolite	C₁₀H₁₁NO₃ Mono mass: 193.073893218