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Mrv2104 06072104352D

45 50  0  0  1  0            999 V2000
   18.5734  -17.1107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4584  -15.4416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.2570  -14.9912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2541  -13.9732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   24.9907  -12.3156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9142  -17.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0688  -15.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3798  -16.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.4645  -15.7896    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.2598  -16.0091    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.4674  -16.8075    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   23.0201  -13.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.4030  -12.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 14  1  1  1  0  0  0
 19  2  1  6  0  0  0
  3 28  1  0  0  0  0
  4 32  1  0  0  0  0
 33  4  1  1  0  0  0
  5 32  2  0  0  0  0
  6 33  1  0  0  0  0
  6 36  1  0  0  0  0
 34  7  1  6  0  0  0
  7 39  1  0  0  0  0
 35  8  1  1  0  0  0
 37  9  1  6  0  0  0
 10 38  1  0  0  0  0
 11 39  2  0  0  0  0
 12 45  1  0  0  0  0
 13 14  1  0  0  0  0
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 13 21  1  6  0  0  0
 14 16  1  0  0  0  0
 14 20  1  0  0  0  0
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 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 27  1  6  0  0  0
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 19 28  1  0  0  0  0
 20 22  1  0  0  0  0
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 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 29  1  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  1  0  0  0
 26 32  1  0  0  0  0
 29 30  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 37  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  1  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 41 43  1  0  0  0  0
 42 44  2  0  0  0  0
 43 45  2  0  0  0  0
 44 45  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

PHUB002060 Score: 1.0	Cofaryloside I precursor	C₃₃H₄₄O₁₂ Mono mass: 632.283276857
PHUB002059 Score: 0.839	Paniculoside VI precursor	C₃₅H₄₆O₁₁ Mono mass: 642.304012301
PHUB002061 Score: 0.723	Villanovane I precursor	C₂₆H₄₀O₉ Mono mass: 496.267232868