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Mrv2104 03092213022D

35 38  0  0  1  0            999 V2000
    1.4106    0.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3654    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4101   -2.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9971   -2.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2871   -3.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8741   -2.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0223    0.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8880   -1.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6845    2.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5994    3.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7656    0.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6769    1.8742    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7650   -1.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8892    2.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5191   -3.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7215    1.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7209    0.7800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2430   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9491    1.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9045    1.5844    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4348    2.2294    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3901    2.2294    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6399    2.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1233    4.3275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3962   -4.3275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4101    1.4198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   -0.8514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2849    3.2128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3660    0.2657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8446    2.9179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5845    1.0544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759    1.2944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1240    2.3796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0438    2.9559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0322    1.4861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
 11  1  1  0  0  0  0
 11  7  1  0  0  0  0
 12  2  1  6  0  0  0
 13  3  2  0  0  0  0
 13  4  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  2  0  0  0  0
 14 10  1  0  0  0  0
 15  5  2  0  0  0  0
 15  6  1  0  0  0  0
 16  9  1  0  0  0  0
 17  7  1  6  0  0  0
 18  8  1  0  0  0  0
 19 11  2  0  0  0  0
 19 16  1  0  0  0  0
 20 12  1  0  0  0  0
 20 17  1  0  0  0  0
 21 14  1  0  0  0  0
 21 19  1  0  0  0  0
 20 22  1  0  0  0  0
 22 21  1  0  0  0  0
 12 23  1  0  0  0  0
 24 10  1  0  0  0  0
 25 15  1  0  0  0  0
 26 16  2  0  0  0  0
 27 18  2  0  0  0  0
 28 23  2  0  0  0  0
 17 29  1  0  0  0  0
 29 18  1  0  0  0  0
 22 30  1  0  0  0  0
 30 23  1  0  0  0  0
 12 31  1  1  0  0  0
 17 32  1  1  0  0  0
 20 33  1  6  0  0  0
 21 34  1  6  0  0  0
 22 35  1  1  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 — 8 of approximately 8 results

PHUB002316 Score: 1.0	11beta,13-dihydrolactucopicrin 125519-47-3 precursor	C₂₃H₂₄O₇ Mono mass: 412.152203113
PHUB000134 Score: 0.964	Lactupicrin precursor	C₂₃H₂₂O₇ Mono mass: 410.136553048
PHUB002884 Score: 0.964	Lactucopicrin 65725-11-3 precursor	C₂₃H₂₂O₇ Mono mass: 410.136553048
PHUB002885 Score: 0.89	Lactucopicrin-15-oxalate 303130-75-8 metabolite	C₂₅H₂₂O₁₀ Mono mass: 482.121296908
PHUB002103 Score: 0.815	11β,13-dihydrolactucin precursor	C₁₅H₁₈O₅ Mono mass: 278.11542368
PHUB002104 Score: 0.815	testM	C₁₅H₁₈O₅ Mono mass: 278.11542368
PHUB000133 Score: 0.78	Lactucin precursor	C₁₅H₁₆O₅ Mono mass: 276.099773615
PHUB000116 Score: 0.756	Deoxylactucin (8-) precursor	C₁₅H₁₆O₄ Mono mass: 260.104858995
PHUB000100 Score: 0.741	Achillin precursor	C₁₅H₁₈O₃ Mono mass: 246.12559444