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Mrv2104 06072104342D

29 31  0  0  1  0            999 V2000
   13.7558   -9.2152    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2219   -8.5803    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5844   -9.1907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.5205  -10.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3852   -7.7772    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4015   -8.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0795   -8.5281    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.8660   -9.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2064  -10.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1205   -7.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6678   -7.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0610   -7.9236    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9926   -9.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8762   -7.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8828   -8.9687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6543  -10.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1901  -11.3023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1365   -6.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2547   -7.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1604   -8.4963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8071   -9.2894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3351   -9.5155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1682   -6.9720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4611   -8.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1725   -9.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4611   -7.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8856   -8.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1710   -9.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4580  -10.2479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  6  0  0  0
  8 16  2  0  0  0  0
  9 17  2  0  0  0  0
 10 18  2  0  0  0  0
 12 19  1  1  0  0  0
  8  9  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
  1 20  1  1  0  0  0
  2 21  1  6  0  0  0
  3 22  1  6  0  0  0
  5 23  1  6  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
  1  4  1  0  0  0  0
 25 27  2  0  0  0  0
  2  5  1  0  0  0  0
 25 28  1  0  0  0  0
  2  6  1  0  0  0  0
 28 29  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 — 4 of approximately 4 results

PHUB001924 Score: 1.0	Cynaropicrin 35730-78-0 precursor	C₁₉H₂₂O₆ Mono mass: 346.141638428
PHUB001925 Score: 0.904	Dehydrocyanaropicrin precursor	C₁₉H₂₀O₆ Mono mass: 344.125988364
PHUB000140 Score: 0.73	Nobilin precursor	C₂₀H₂₆O₅ Mono mass: 346.178023937
PHUB000127 Score: 0.723	Heliangin precursor	C₂₀H₂₆O₆ Mono mass: 362.172938557