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Mrv2104 06072104292D

22 24  0  0  0  0            999 V2000
10001.1086 9999.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.9601 9999.1426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.8517 9999.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.9998 9999.1426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.545110000.5782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.991510000.8194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.324110000.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.5790 9999.5498    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.4040 9999.5498    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.658910000.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.140210000.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.425810000.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.711310000.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.7112 9999.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.4257 9999.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.1403 9999.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.534710000.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.820310000.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.8203 9999.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.5347 9999.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.2492 9999.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.249210000.3789    0.0000 C   0  0  0  0  0  0  0  0  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
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  9  1  1  1  0  0  0
  8  3  1  6  0  0  0
  7  5  2  0  0  0  0
 11 12  2  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
 16 11  1  0  0  0  0
  3 16  1  0  0  0  0
 14  4  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
  1 19  1  0  0  0  0
 21  2  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 — 9 of approximately 9 results

PHUB001387 Score: 1.0	Enterolactone metabolite	C₁₈H₁₈O₄ Mono mass: 298.12050906
PHUB001388 Score: 0.885	(+)-Matairesinol precursor	C₂₀H₂₂O₆ Mono mass: 358.141638428
PHUB001720 Score: 0.877	Arctigenin precursor	C₂₁H₂₄O₆ Mono mass: 372.157288493
PHUB001723 Score: 0.877	Dimethylmatairesinol precursor	C₂₂H₂₆O₆ Mono mass: 386.172938557
PHUB002608 Score: 0.771	Dihydrocaffeoyl-glycerol metabolite	C₁₄H₂₀O₄ Mono mass: 252.136159124
PHUB001718 Score: 0.758	7-Oxomatairesinol precursor	C₂₀H₂₀O₇ Mono mass: 372.120902984
PHUB001696 Score: 0.752	7-Hydroxymatairesinol precursor	C₂₀H₂₂O₇ Mono mass: 374.136553048
PHUB001730 Score: 0.746	Nortrachelogenin precursor	C₂₀H₂₂O₇ Mono mass: 374.136553048
PHUB001721 Score: 0.714	Conidendrin precursor	C₂₀H₂₀O₆ Mono mass: 356.125988364