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Mrv2104 05032312012D

13 14  0  0  0  0            999 V2000
    6.7238   -1.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0093   -2.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0093   -2.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7238   -3.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4382   -2.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2228   -3.2453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7078   -2.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2228   -1.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4382   -2.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4778   -1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2848   -0.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8368   -1.5673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5397   -0.1697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  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
 10  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 10 11  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 — 2 of approximately 2 results

PHUB002946 Score: 1.0	Indole-3-acetic acid metabolite	C₁₀H₉NO₂ Mono mass: 175.063328534
PHUB002961 Score: 1.0	Indole-3-aldehyde metabolite	C₁₀H₉NO₂ Mono mass: 175.063328534
PHUB002962 Score: 1.0	Indole-3-lactic acid metabolite	C₁₀H₉NO₂ Mono mass: 175.063328534
PHUB001475 Score: 0.881	5-Hydroxyindole acetic acid metabolite	C₁₀H₉NO₃ Mono mass: 191.058243154