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Mrv2104 05032310242D

12 13  0  0  0  0            999 V2000
   -2.9464   -0.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6608   -0.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6608   -1.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9464   -2.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2319   -1.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2319   -0.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4474   -1.8952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9624   -1.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4472   -0.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1922    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3672    0.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6770    0.8916    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  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  7  8  1  0  0  0  0
  5  7  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 — 4 of approximately 4 results

PHUB002950 Score: 1.0	Indole-3-carboxylic acid metabolite	C₉H₇NO₂ Mono mass: 161.047678469
PHUB002948 Score: 0.816	Indole-3-carboxaldehyde metabolite	C₉H₇NO Mono mass: 145.052763849
PHUB002320 Score: 0.806	Indole-3-carbinol 700-06-1 precursor metabolite	C₉H₉NO Mono mass: 147.068413914
PHUB002947 Score: 0.731	methoxy indole-3-carbinol metabolite	C₁₀H₁₁NO Mono mass: 161.084063978