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Mrv2104 02282400452D

22 24  0  0  0  0            999 V2000
   -3.1920    2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9064    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9064    0.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1920    0.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4775    0.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4775    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7629    0.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0485    0.8375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0484    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7630    2.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3340    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3340   -0.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3804   -0.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0949   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0949    0.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3804    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6208    2.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8093   -0.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3353    1.6625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7478    2.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9997    0.9088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0704    1.2879    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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  7  1  0  0  0  0
  8 11  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 12  2  0  0  0  0
 16 11  1  0  0  0  0
 14 18  1  0  0  0  0
  2 17  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 22  1  0  0  0  0
 19 21  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 — 5 of approximately 5 results

PHUB003099 Score: 1.0	Equol 7-O-sulfate metabolite	C₁₅H₁₄O₆S Mono mass: 322.051109345
PHUB003100 Score: 0.963	Equol 4'-O-sulfate metabolite	C₁₅H₁₄O₆S Mono mass: 322.051109345
PHUB001774 Score: 0.776	Equol metabolite	C₁₅H₁₄O₃ Mono mass: 242.094294311
PHUB002597 Score: 0.77	5-Hydroxyequol metabolite	C₁₅H₁₄O₄ Mono mass: 258.089208931
PHUB002596 Score: 0.723	Tetrahydrodaidzein metabolite	C₁₅H₁₄O₄ Mono mass: 258.089208931