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Mrv0541 08211411172D          
  Mrv2104 06072104272D

17 19  0  0  1  0            999 V2000
    2.8102    0.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5534   -0.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2967    0.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8007   -0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6266    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9918   -1.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3133   -0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2166   -1.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4802    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1410    1.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9659    1.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1809   -0.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8923    1.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1963   -0.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5255   -1.5578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9449    0.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2016    0.7623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  7 14  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 14 15  2  0  0  0  0
  5 16  1  0  0  0  0
 16 17  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

PHUB000931 Score: 1.0	14-hydroxyisolongifoldaldehyde metabolite	C₁₅H₂₄O₂ Mono mass: 236.177630013
PHUB001816 Score: 0.717	10-hydroxyfenchone metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB000963 Score: 0.708	Carane 9,10-dicarboxylic acid metabolite	C₁₀H₁₄O₄ Mono mass: 198.089208931