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Mrv2104 06072104332D

13 13  0  0  0  0            999 V2000
    1.1692   -0.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4547   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2597   -0.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4547    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2597    0.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2597    1.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4547    2.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4547    2.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1692    1.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1692    0.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8837    0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1692    3.3753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1911   -1.5649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
  1 13  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 — 11 of approximately 11 results

PHUB001829 Score: 1.0	2-(4-hydroxymethyl-2-hydroxyphenyl)propan-1-ol metabolite	C₁₀H₁₄O₃ Mono mass: 182.094294311
PHUB001826 Score: 0.919	2-(2-hydroxy-4-methylphenyl)propan-1-ol metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB001827 Score: 0.871	5-hydroxymethyl-2-(1-methylethyl)phenol metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB001789 Score: 0.788	2-(-3-Hydroxy-4-methylphenyl)propan-1-ol metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB000096 Score: 0.774	Thymol precursor	C₁₀H₁₄O Mono mass: 150.104465071
PHUB001830 Score: 0.75	2-(2-hydroxy-4-methylphenyl)propionic acid metabolite	C₁₀H₁₂O₃ Mono mass: 180.078644246
PHUB001790 Score: 0.746	2-Hydroxymethyl-5-(1-methylethyl)phenol metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB001788 Score: 0.739	2-(-3-Hydroxy-4-methylphenyl)propan-2-ol metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB001787 Score: 0.716	2,3-Dihydroxy-p-cymene metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB001825 Score: 0.716	2,5-dihydroxy-p-cymene metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB001828 Score: 0.711	3-hydroxy-4-(1-methylethyl)benzoic acid metabolite	C₁₀H₁₂O₃ Mono mass: 180.078644246