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Mrv2104 06072104322D

40 43  0  0  0  0            999 V2000
    8.4669   -2.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7525   -2.9490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8946   -3.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5620   -4.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3071   -5.0437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4821   -5.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2272   -4.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4425   -4.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2710   -3.1971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9972   -5.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3327   -6.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8478   -7.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0273   -7.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5424   -7.7134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7219   -7.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3864   -6.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5659   -6.7873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2370   -8.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5726   -9.0483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4165   -8.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684   -8.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8889   -8.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2244   -8.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0449   -7.9497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7395   -7.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0751   -6.6148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5901   -5.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0810   -7.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6918   -6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8713   -6.2061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5357   -5.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1767   -5.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091   -1.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380   -1.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7525   -1.2991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  1  0  0  0  0
  6  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
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 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
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  2  0  0  0  0
 24 32  1  0  0  0  0
 17 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 36  2  0  0  0  0
 14 36  1  0  0  0  0
  5 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
  3 39  1  0  0  0  0
 39 40  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 — 10 of approximately 10 results

PHUB001728 Score: 1.0	Lariciresinol-sesquilignan precursor	C₃₀H₃₆O₁₀ Mono mass: 556.230847359
PHUB001731 Score: 0.894	Secoisolariciresinol-sesquilignan precursor	C₃₀H₃₈O₁₀ Mono mass: 558.246497424
PHUB001390 Score: 0.817	(+)-Lariciresinol precursor	C₂₀H₂₄O₆ Mono mass: 360.157288493
PHUB001389 Score: 0.806	(+)-Pinoresinol precursor	C₂₀H₂₂O₆ Mono mass: 358.141638428
PHUB001729 Score: 0.785	Medioresinol precursor	C₂₁H₂₄O₇ Mono mass: 388.152203113
PHUB001737 Score: 0.785	Syringaresinol precursor	C₂₂H₂₆O₈ Mono mass: 418.162767797
PHUB001691 Score: 0.766	1-Acetoxypinoresinol precursor	C₂₂H₂₄O₈ Mono mass: 416.147117733
PHUB001724 Score: 0.758	Episesamin precursor	C₂₀H₁₈O₆ Mono mass: 354.1103383
PHUB001732 Score: 0.758	Sesamin precursor	C₂₀H₁₈O₆ Mono mass: 354.1103383
PHUB001738 Score: 0.733	Todolactol A precursor	C₂₀H₂₄O₇ Mono mass: 376.152203113
PHUB001739 Score: 0.733	Trachelogenin precursor	C₂₀H₂₄O₇ Mono mass: 376.152203113
PHUB001726 Score: 0.708	Isohydroxymatairesinol precursor	C₂₀H₂₂O₇ Mono mass: 374.136553048