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Mrv2104 06072104292D

26 27  0  0  0  0            999 V2000
    0.0041    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0041   -0.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4304   -0.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4304    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7179    1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1455   -0.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1455   -1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8594   -1.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5717   -1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5717   -0.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8594   -0.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7110    1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4262    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4262   -0.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7110   -0.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7179    1.8560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869   -1.8560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7179   -0.6182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7110    1.8560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414   -0.6182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414    1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8566    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5717    1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2869    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5717    1.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7179   -1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  2 15  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  2  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  2  0  0  0  0
  6 11  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
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 18 26  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 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 — 7 of approximately 7 results

PHUB001402 Score: 1.0	Xanthohumol 6754-58-1 precursor	C₂₁H₂₂O₅ Mono mass: 354.146723808
PHUB002504 Score: 0.886	desmethylxanthohumol 115063-39-3 precursor	C₂₀H₂₀O₅ Mono mass: 340.131073744
PHUB001885 Score: 0.826	Cerasin precursor	C₁₈H₁₈O₆ Mono mass: 330.1103383
PHUB001403 Score: 0.771	Xanthohumol D precursor	C₂₁H₂₂O₆ Mono mass: 370.141638428
PHUB001767 Score: 0.763	Isoliquiritigenin precursor	C₁₅H₁₂O₄ Mono mass: 256.073558866
PHUB001708 Score: 0.721	Butein precursor	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB001404 Score: 0.72	Xanthohumol C precursor	C₂₁H₂₀O₅ Mono mass: 352.131073744