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Mrv2104 03012313352D

24 24  0  0  0  0            999 V2000
    4.5406   -0.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    0.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0754    1.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1378   -0.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5152    0.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6726    1.3301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7351    0.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4939   -0.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9904   -1.1961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6921   -0.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4004    0.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3471   -0.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0230    0.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8427   -0.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4466    0.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0244    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3755    1.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0494    2.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8743    2.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3505    3.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0593    0.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0450    1.5498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2113   -1.2584    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 11 22  1  0  0  0  0
  7 22  1  0  0  0  0
 22 23  1  0  0  0  0
  8  9  2  0  0  0  0
 10 24  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

PHUB002503 Score: 1.0		Luputrione precursor	C₂₀H₃₂O₄ Mono mass: 336.23005951