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Mrv2104 06072104242D

16 16  0  0  0  0            999 V2000
   -2.7107   -0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4252   -0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4252   -1.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7107   -2.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9962   -1.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9962   -0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1397   -2.1509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2818   -0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5673   -0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1472   -0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8616   -0.9134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1472    0.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5761   -0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2906   -0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0051   -0.5009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2906   -1.7384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  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 — 11 of approximately 11 results

PHUB000594 Score: 1.0	Coumaroyl glycolic acid (p-) precursor	C₁₁H₁₀O₅ Mono mass: 222.052823422
PHUB000592 Score: 0.843	Coumaric acid ethyl ester (p-) precursor	C₁₁H₁₂O₃ Mono mass: 192.078644246
PHUB001887 Score: 0.795	Methyl p-Coumaric acid 3943-97-3 precursor metabolite	C₁₀H₁₀O₃ Mono mass: 178.062994182
PHUB002853 Score: 0.784	p-Coumaric acid glycerol ester precursor	C₁₂H₁₄O₅ Mono mass: 238.084123551
PHUB000576 Score: 0.769	Caffeic acid ethyl ester precursor	C₁₁H₁₂O₄ Mono mass: 208.073558866
PHUB000595 Score: 0.755	Coumaroyl malic acid (p-) precursor	C₁₃H₁₂O₇ Mono mass: 280.058302726
PHUB000596 Score: 0.741	Coumaroyl tartaric acid (p-) precursor	C₁₃H₁₂O₈ Mono mass: 296.053217346
PHUB002607 Score: 0.724	Caffeoyl-glycerol metabolite	C₁₂H₁₄O₆ Mono mass: 254.079038171
PHUB002854 Score: 0.724	Caffeic acid glycerol ester precursor	C₁₂H₁₄O₆ Mono mass: 254.079038171
PHUB000590 Score: 0.723	Coumaric acid (p-) 501-98-4 precursor metabolite	C₉H₈O₃ Mono mass: 164.047344118
PHUB000630 Score: 0.7	Prenyl caffeate precursor	C₁₄H₁₆O₄ Mono mass: 248.104858995