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Mrv2104 03222314002D

17 17  0  0  0  0            999 V2000
    1.6872    0.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9728   -0.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2582    0.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4104    0.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2582    1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9728    1.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6873    1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4017    1.4177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5181   -0.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0869   -1.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414   -0.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5036   -1.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1429   -1.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2904   -0.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8078   -1.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5141   -1.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0368   -2.1757    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  1  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  2  0  0  0  0
  9 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  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 10 17  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 — 18 of approximately 18 results

PHUB002853 Score: 1.0	p-Coumaric acid glycerol ester precursor	C₁₂H₁₄O₅ Mono mass: 238.084123551
PHUB002607 Score: 0.918	Caffeoyl-glycerol metabolite	C₁₂H₁₄O₆ Mono mass: 254.079038171
PHUB002854 Score: 0.918	Caffeic acid glycerol ester precursor	C₁₂H₁₄O₆ Mono mass: 254.079038171
PHUB000596 Score: 0.804	Coumaroyl tartaric acid (p-) precursor	C₁₃H₁₂O₈ Mono mass: 296.053217346
PHUB000595 Score: 0.786	Coumaroyl malic acid (p-) precursor	C₁₃H₁₂O₇ Mono mass: 280.058302726
PHUB000594 Score: 0.784	Coumaroyl glycolic acid (p-) precursor	C₁₁H₁₀O₅ Mono mass: 222.052823422
PHUB000592 Score: 0.778	Coumaric acid ethyl ester (p-) precursor	C₁₁H₁₂O₃ Mono mass: 192.078644246
PHUB000579 Score: 0.75	Caffeoyl tartaric acid precursor	C₁₃H₁₂O₉ Mono mass: 312.048131966
PHUB000580 Score: 0.75	Caftaric acid precursor	C₁₃H₁₂O₉ Mono mass: 312.048131966
PHUB000584 Score: 0.738	Chicoric acid precursor	C₂₂H₁₈O₁₂ Mono mass: 474.07982602
PHUB001887 Score: 0.733	Methyl p-Coumaric acid 3943-97-3 precursor metabolite	C₁₀H₁₀O₃ Mono mass: 178.062994182
PHUB000545 Score: 0.715	4-p-Coumaroylquinic acid precursor	C₁₆H₁₈O₈ Mono mass: 338.10016754
PHUB000598 Score: 0.715	Coumaroylquinic acid (p-) precursor	C₁₆H₁₈O₈ Mono mass: 338.10016754
PHUB000534 Score: 0.714	3-p-Coumaroylquinic acid 1899-30-5 precursor	C₁₆H₁₈O₈ Mono mass: 338.10016754
PHUB000558 Score: 0.714	5-p-Coumaroylquinic acid precursor	C₁₆H₁₈O₈ Mono mass: 338.10016754
PHUB000576 Score: 0.714	Caffeic acid ethyl ester precursor	C₁₁H₁₂O₄ Mono mass: 208.073558866
PHUB002562 Score: 0.714	3-O-p-Coumaroylquinic acid 1899-30-5 precursor	C₁₆H₁₈O₈ Mono mass: 338.10016754
PHUB000629 Score: 0.706	Phenethyl caffeate precursor	C₁₇H₁₆O₄ Mono mass: 284.104858995
PHUB000611 Score: 0.703	Feruloyl tartaric acid precursor	C₁₄H₁₄O₉ Mono mass: 326.063782031