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Deoxylactucin (8-)
  Mrv2104 06072104192D          
  Mrv0541 01091312082D          
 19 21  0  0  1  0            999 V2000
    3.0716    0.2380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6465    0.1719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501    0.5945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2340   -1.8860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7768    0.6568    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5932    1.4612    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5201    0.2988    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1076    2.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2635    0.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9326    2.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6323   -0.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4470    1.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7761    1.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8287    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4394   -0.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    0.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0369   -1.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2514    1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517    2.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  1 16  1  0  0  0  0
  2 14  2  0  0  0  0
  3 16  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  6  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  6  0  0  0
  8 10  1  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 11 15  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  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 — 12 of approximately 12 results

PHUB000116 Score: 1.0	Deoxylactucin (8-) precursor	C₁₅H₁₆O₄ Mono mass: 260.104858995
PHUB000133 Score: 0.971	Lactucin precursor	C₁₅H₁₆O₅ Mono mass: 276.099773615
PHUB002103 Score: 0.92	11β,13-dihydrolactucin precursor	C₁₅H₁₈O₅ Mono mass: 278.11542368
PHUB002104 Score: 0.92	testM	C₁₅H₁₈O₅ Mono mass: 278.11542368
PHUB000100 Score: 0.888	Achillin precursor	C₁₅H₁₈O₃ Mono mass: 246.12559444
PHUB002863 Score: 0.806	8-Deoxylactucin 15-sulfate metabolite	C₁₅H₁₆O₇S Mono mass: 340.061674029
PHUB000134 Score: 0.792	Lactupicrin precursor	C₂₃H₂₂O₇ Mono mass: 410.136553048
PHUB002884 Score: 0.792	Lactucopicrin 65725-11-3 precursor	C₂₃H₂₂O₇ Mono mass: 410.136553048
PHUB002316 Score: 0.756	11beta,13-dihydrolactucopicrin 125519-47-3 precursor	C₂₃H₂₄O₇ Mono mass: 412.152203113
PHUB002885 Score: 0.731	Lactucopicrin-15-oxalate 303130-75-8 metabolite	C₂₅H₂₂O₁₀ Mono mass: 482.121296908
PHUB002860 Score: 0.723	8-Deoxylactucin glucuronide metabolite	C₂₁H₂₄O₁₀ Mono mass: 436.136946973
PHUB000140 Score: 0.714	Nobilin precursor	C₂₀H₂₆O₅ Mono mass: 346.178023937
PHUB000137 Score: 0.706	Matricin 29041-35-8 precursor	C₁₇H₂₂O₅ Mono mass: 306.146723808