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Mrv2104 06072104332D

22 26  0  0  0  0            999 V2000
   -2.7844    0.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4988   -0.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4988   -1.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7844   -1.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0699   -1.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0699   -0.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3554    0.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3554   -1.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6410   -1.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6410   -0.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6410    1.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3554    1.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0734    0.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0734    1.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2133   -1.4659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0054   -2.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9260   -2.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0772    0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9206    0.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2798   -0.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7102    0.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3119    0.2123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 10  1  0  0  0  0
  5  8  1  0  0  0  0
  7  6  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 11 14  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 16  2  0  0  0  0
  6 18  1  0  0  0  0
 14 19  1  0  0  0  0
 10 20  1  0  0  0  0
 20 19  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  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 — 8 of approximately 8 results

PHUB001717 Score: 1.0	Dehydrokahweol precursor	C₂₀H₂₄O₂ Mono mass: 296.177630013
PHUB000010 Score: 0.865	Kahweol 6894-43-5 precursor metabolite	C₂₀H₂₆O₃ Mono mass: 314.188194697
PHUB001703 Score: 0.848	16-O-Methylkahweol precursor	C₂₁H₂₈O₃ Mono mass: 328.203844762
PHUB002034 Score: 0.76	Kahweol oleate precursor	C₃₈H₅₈O₄ Mono mass: 578.433510348
PHUB002035 Score: 0.754	Kahweol palmitate precursor	C₃₆H₅₆O₄ Mono mass: 552.417860283
PHUB002036 Score: 0.754	Kahweol stearate precursor	C₃₈H₆₀O₄ Mono mass: 580.449160412
PHUB002033 Score: 0.747	Kahweol linoleate precursor	C₃₈H₅₆O₄ Mono mass: 576.417860283
PHUB001716 Score: 0.724	Dehydrocafestol precursor	C₂₀H₂₆O₂ Mono mass: 298.193280077