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Mrv2104 03092214262D

11 12  0  0  0  0            999 V2000
    1.3492    0.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3492    1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6347   -0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6347    1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3492    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1192   -0.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8643   -0.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0796    0.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0796    1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8643    1.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5672   -1.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  7  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  3  2  0  0  0  0
  8  7  1  0  0  0  0
  9  4  2  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  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 — 5 of approximately 5 results

PHUB002320 Score: 1.0	Indole-3-carbinol 700-06-1 precursor metabolite	C₉H₉NO Mono mass: 147.068413914
PHUB002947 Score: 0.888	methoxy indole-3-carbinol metabolite	C₁₀H₁₁NO Mono mass: 161.084063978
PHUB000783 Score: 0.835	Skatole precursor	C₉H₉N Mono mass: 131.073499294
PHUB002950 Score: 0.806	Indole-3-Carboxylic Acid metabolite	C₉H₇NO₂ Mono mass: 161.047678469
PHUB002948 Score: 0.728	Indole-3-carboxaldehyde metabolite	C₉H₇NO Mono mass: 145.052763849