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Monotropein
  Mrv2104 06072104182D

29 31  0  0  1  0            999 V2000
    8.1674   -7.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4559   -7.7742    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7382   -7.3695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4248   -8.6025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0296   -7.7885    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7530   -9.0228    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1883   -9.0072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0340   -8.6134    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3046   -7.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7635   -9.8511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3225   -9.0370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5980   -7.8008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4419   -5.8506    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4385   -5.0256    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1600   -6.2665    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6592   -6.1015    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1600   -4.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6586   -4.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8704   -5.8541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1768   -5.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2307   -6.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8252   -6.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8704   -5.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1600   -3.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4064   -6.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8773   -3.3757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4419   -3.3757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4350   -6.6826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4350   -4.1973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  6  0  0  0
  5  8  1  0  0  0  0
  5  9  1  1  0  0  0
  6 10  1  1  0  0  0
  8 11  1  6  0  0  0
  6  8  1  0  0  0  0
  9 12  1  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  1  0  0  0
 16 22  1  6  0  0  0
 17 23  2  0  0  0  0
 17 24  1  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 18 20  2  0  0  0  0
 19 23  1  0  0  0  0
 13 28  1  1  0  0  0
 14 29  1  1  0  0  0
 15  1  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 — 6 of approximately 6 results

PHUB000065 Score: 1.0	Monotropein precursor	C₁₆H₂₂O₁₁ Mono mass: 390.116211528
PHUB000066 Score: 0.853	Monotropein (6,7-dihydro-) precursor	C₁₆H₂₄O₁₁ Mono mass: 392.131861593
PHUB001683 Score: 0.788	Oleoside 11-methylester precursor	C₁₇H₂₄O₁₁ Mono mass: 404.131861593
PHUB001684 Score: 0.788	Oleoside dimethylester precursor	C₁₈H₂₆O₁₁ Mono mass: 418.147511657
PHUB000041 Score: 0.754	Gentiopicrin precursor	C₁₆H₂₀O₉ Mono mass: 356.110732224
PHUB001694 Score: 0.7	Ligstroside precursor	C₂₅H₃₂O₁₂ Mono mass: 524.18937647