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Mrv2104 10122212232D

25 26  0  0  0  0            999 V2000
   18.8565  -11.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8565  -12.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5710  -13.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2855  -12.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2855  -11.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5710  -11.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1420  -11.4321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0111  -11.4257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5710  -13.9072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0111  -13.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7213  -12.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0109  -13.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1420  -13.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4375  -12.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7377  -13.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0358  -12.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7375  -13.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4339  -13.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1552  -12.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8760  -13.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5899  -12.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5904  -11.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8697  -11.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1557  -11.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2844  -11.4550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 11 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 24  1  0  0  0  0
 22 25  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 — 8 of approximately 8 results

PHUB002504 Score: 1.0	desmethylxanthohumol 115063-39-3 precursor	C₂₀H₂₀O₅ Mono mass: 340.131073744
PHUB001402 Score: 0.886	Xanthohumol 6754-58-1 precursor	C₂₁H₂₂O₅ Mono mass: 354.146723808
PHUB001767 Score: 0.861	Isoliquiritigenin precursor	C₁₅H₁₂O₄ Mono mass: 256.073558866
PHUB001708 Score: 0.807	Butein precursor	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB002647 Score: 0.732	Artepillin C precursor	C₁₉H₂₄O₃ Mono mass: 300.172544633
PHUB002481 Score: 0.723	Drupanin precursor	C₁₄H₁₆O₃ Mono mass: 232.109944375
PHUB001885 Score: 0.719	Cerasin precursor	C₁₈H₁₈O₆ Mono mass: 330.1103383
PHUB002482 Score: 0.713	Capillartemisin A 85819-52-9 precursor metabolite	C₁₉H₂₄O₄ Mono mass: 316.167459253