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Paradisin C
  Mrv2104 06072104202D

53 59  0  0  0  0            999 V2000
    5.5666   -2.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5666   -1.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8530   -1.3758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1406   -1.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1406   -2.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8530   -3.0246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4269   -1.3758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146   -1.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146   -2.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4269   -3.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9307   -1.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4480   -2.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9307   -2.8651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2804   -3.0246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4269   -0.5507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146   -0.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5665   -0.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2816    0.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1617   -0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1617    0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8754    0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5878    0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5878   -0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8754   -0.6868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0778   -1.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2707   -1.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8553   -0.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4054    0.0611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0575   -2.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5555   -1.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3015    0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0138    0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0138   -0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3015   -0.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7976    0.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2804    0.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7976   -0.5273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3015    1.7870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5878    2.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8754    1.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1617    2.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4412    1.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1617    3.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7260    2.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0110    1.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7040    2.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0110    0.9619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4191    1.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7040    3.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4191    2.6121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 14  2  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
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 30  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
 22 31  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 34  1  0  0  0  0
 26 27  1  0  0  0  0
 26 37  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
 30 31  1  0  0  0  0
 34 35  2  0  0  0  0
 34 41  1  0  0  0  0
 35 36  1  0  0  0  0
 35 38  1  0  0  0  0
 36 37  2  0  0  0  0
 36 40  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 49 51  1  0  0  0  0
 49 52  1  0  0  0  0
 49 53  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 — 1 of approximately 1 results

PHUB000256 Score: 1.0		Paradisin C precursor	C₄₂H₄₆O₁₁ Mono mass: 726.304012301