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Mrv2104 06072104322D

18 20  0  0  1  0            999 V2000
   14.5096   -8.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5096   -9.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2239  -10.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9385   -9.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9385   -8.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2239   -8.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6529  -10.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3673   -9.7640    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.3673   -8.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6529   -8.5264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0833  -10.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7949   -8.5264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0833  -11.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7978  -11.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5123  -11.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5123  -10.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7978   -9.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2284  -11.4149    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
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  6  0  0  0
  1 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 11 17  1  0  0  0  0
 15 18  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 — 7 of approximately 7 results

PHUB001774 Score: 1.0	Equol metabolite	C₁₅H₁₄O₃ Mono mass: 242.094294311
PHUB002597 Score: 0.99	5-Hydroxyequol metabolite	C₁₅H₁₄O₄ Mono mass: 258.089208931
PHUB002596 Score: 0.86	Tetrahydrodaidzein metabolite	C₁₅H₁₄O₄ Mono mass: 258.089208931
PHUB001356 Score: 0.813	Dihydrodaidzein metabolite	C₁₅H₁₂O₄ Mono mass: 256.073558866
PHUB001364 Score: 0.813	Dihydroformononetin metabolite	C₁₆H₁₄O₄ Mono mass: 270.089208931
PHUB001361 Score: 0.806	2,3-Dihydrobiochanin A metabolite	C₁₆H₁₄O₅ Mono mass: 286.084123551
PHUB001366 Score: 0.806	Dihydrogenistein metabolite	C₁₅H₁₂O₅ Mono mass: 272.068473486