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Mrv2104 09172319322D

31 33  0  0  0  0            999 V2000
   -6.4306   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1450   -0.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1450   -1.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4306   -1.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7161   -1.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7161   -0.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4306    0.7219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4306   -2.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7161   -2.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1451   -2.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1451   -3.8156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7161   -3.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0016   -2.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2872   -1.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0016   -1.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2872   -2.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5727   -2.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5727   -1.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4306   -4.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4306   -5.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7161   -5.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0016   -5.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0016   -4.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8582   -1.3406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8582   -2.9906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8582   -3.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1450   -5.4657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7161   -6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1451   -6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0016   -0.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0016    0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 14 18  2  0  0  0  0
 15 13  2  0  0  0  0
 13 16  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 23  1  0  0  0  0
 12 19  1  0  0  0  0
 12 23  2  0  0  0  0
 18 24  1  0  0  0  0
 17 25  1  0  0  0  0
 25 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
 27 29  1  0  0  0  0
  6 30  1  0  0  0  0
 30 31  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

PHUB003022 Score: 1.0	Quebecol 1360605-46-4 precursor	C₂₄H₂₆O₇ Mono mass: 426.167853177
PHUB001385 Score: 0.742	Secoisolariciresinol precursor	C₂₀H₂₆O₆ Mono mass: 362.172938557
PHUB001722 Score: 0.707	Cyclolariciresinol precursor	C₂₀H₂₄O₆ Mono mass: 360.157288493
PHUB001727 Score: 0.707	Isolariciresinol precursor	C₂₀H₂₄O₆ Mono mass: 360.157288493