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Mrv2104 06072104292D

11 11  0  0  0  0            999 V2000
    0.0113    1.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7030    2.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4176    1.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4176    0.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7031    0.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0113    0.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7258    2.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4403    1.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1547    2.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1321    0.4808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8466    0.8933    0.0000 C   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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4 10  1  0  0  0  0
 10 11  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

PHUB001308 Score: 1.0	Estragole 140-67-0 precursor	C₁₀H₁₂O Mono mass: 148.088815006
PHUB001890 Score: 0.878	Chavicol 501-92-8 precursor	C₉H₁₀O Mono mass: 134.073164942
PHUB000606 Score: 0.79	Eugenol precursor	C₁₀H₁₂O₂ Mono mass: 164.083729626
PHUB000540 Score: 0.755	4-Ethylphenol metabolite	C₈H₁₀O Mono mass: 122.073164942
PHUB001907 Score: 0.721	Methoxyeugenol 6627-88-9 precursor metabolite	C₁₁H₁₄O₃ Mono mass: 194.094294311
PHUB001371 Score: 0.717	Tyrosol 501-94-0 precursor metabolite	C₈H₁₀O₂ Mono mass: 138.068079562
PHUB001906 Score: 0.71	Elemicin 487-11-6 precursor	C₁₂H₁₆O₃ Mono mass: 208.109944375
PHUB000539 Score: 0.705	4-Ethylguaiacol precursor	C₉H₁₂O₂ Mono mass: 152.083729626