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Mrv2104 02282400482D

22 24  0  0  0  0            999 V2000
   -2.5000    1.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2144    1.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2144    0.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7855    0.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7855    1.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0709    0.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3565    0.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3565    1.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0710    1.8741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3578    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3578   -0.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724   -1.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868   -0.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7869    0.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723    0.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5013   -1.0134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9289    1.8741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2158   -0.6009    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8802    0.1526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5513   -1.3546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9694   -0.2654    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  0  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
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
  2 18  1  0  0  0  0
 14 17  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 — 7 of approximately 7 results

PHUB003100 Score: 1.0	Equol 4'-O-sulfate metabolite	C₁₅H₁₄O₆S Mono mass: 322.051109345
PHUB003099 Score: 0.963	Equol 7-O-sulfate metabolite	C₁₅H₁₄O₆S Mono mass: 322.051109345
PHUB001774 Score: 0.806	Equol metabolite	C₁₅H₁₄O₃ Mono mass: 242.094294311
PHUB002597 Score: 0.8	5-Hydroxyequol metabolite	C₁₅H₁₄O₄ Mono mass: 258.089208931
PHUB002596 Score: 0.724	Tetrahydrodaidzein metabolite	C₁₅H₁₄O₄ Mono mass: 258.089208931
PHUB001356 Score: 0.702	Dihydrodaidzein 17238-05-0 metabolite	C₁₅H₁₂O₄ Mono mass: 256.073558866
PHUB001364 Score: 0.702	Dihydroformononetin metabolite	C₁₆H₁₄O₄ Mono mass: 270.089208931