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Mrv2104 06072104342D

24 25  0  0  0  0            999 V2000
   -3.3705    1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0849    1.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0849    0.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3705   -0.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6560    0.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6560    1.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416   -0.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2271    0.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5126   -0.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2017    0.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9162   -0.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6307    0.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6308    1.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9163    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2018    1.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9162   -1.0473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3453    1.4275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3453    2.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2017   -1.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7994    1.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416    1.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3706   -1.0473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416   -1.0473    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
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 11  2  0  0  0  0
 15 10  1  0  0  0  0
 13 17  1  0  0  0  0
 11 16  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
  4 22  1  0  0  0  0
  2 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 23  1  0  0  0  0
  7 24  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
 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 — 6 of approximately 6 results

PHUB001885 Score: 1.0	Cerasin precursor	C₁₈H₁₈O₆ Mono mass: 330.1103383
PHUB001402 Score: 0.826	Xanthohumol 6754-58-1 precursor	C₂₁H₂₂O₅ Mono mass: 354.146723808
PHUB001767 Score: 0.813	Isoliquiritigenin precursor	C₁₅H₁₂O₄ Mono mass: 256.073558866
PHUB001708 Score: 0.75	Butein precursor	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB001404 Score: 0.719	Xanthohumol C precursor	C₂₁H₂₀O₅ Mono mass: 352.131073744
PHUB002504 Score: 0.719	desmethylxanthohumol 115063-39-3 precursor	C₂₀H₂₀O₅ Mono mass: 340.131073744