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Mrv1571301041617112D          
  Mrv2104 06072104202D

52 57  0  0  0  0            999 V2000
    1.9367    8.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9905    6.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7408   12.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6940   13.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3138   13.6155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3555    9.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9264    9.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1503    7.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9471    7.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3919    8.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3596    6.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3596    8.2761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    6.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9471    6.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  9  1  1  0  0  0  0
  9  4  2  0  0  0  0
 10  2  1  0  0  0  0
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 12  8  2  0  0  0  0
 12 11  1  0  0  0  0
 13  8  1  0  0  0  0
 13 10  2  0  0  0  0
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 15 10  1  0  0  0  0
 15 11  2  0  0  0  0
 16 14  2  0  0  0  0
 17  7  1  0  0  0  0
 17 12  1  0  0  0  0
 18  6  1  0  0  0  0
 18 15  1  0  0  0  0
 19 13  1  0  0  0  0
 19 14  1  0  0  0  0
 21 20  2  0  0  0  0
 23 22  2  0  0  0  0
 25 20  1  0  0  0  0
 26 22  1  0  0  0  0
 27 26  1  0  0  0  0
 27 24  2  0  0  0  0
 33 28  1  0  0  0  0
 28 25  2  0  0  0  0
 28 24  1  0  0  0  0
 33 29  1  0  0  0  0
 29 21  1  0  0  0  0
 30 26  2  0  0  0  0
 30 25  1  0  0  0  0
 31 29  2  0  0  0  0
 32 27  1  0  0  0  0
 32 23  1  0  0  0  0
 30 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 48  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 42 50  1  0  0  0  0
  9 45  1  0  0  0  0
  1 46  1  0  0  0  0
 46 47  1  0  0  0  0
 49 47  1  0  0  0  0
 47 50  1  0  0  0  0
 49 51  1  0  0  0  0
 49 52  2  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
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 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 — 4 of approximately 4 results

PHUB000260 Score: 1.0	Paradisin B precursor	C₄₂H₄₄O₁₀ Mono mass: 708.293447617
PHUB000254 Score: 0.958	Paradisin A precursor	C₄₂H₄₆O₁₁ Mono mass: 726.304012301
PHUB000255 Score: 0.897	6',7'-Dihydroxybergamottin precursor	C₂₁H₂₄O₆ Mono mass: 372.157288493
PHUB000236 Score: 0.798	Bergamottin precursor	C₂₁H₂₂O₄ Mono mass: 338.151809188