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Mrv2104 11072208592D

11 11  0  0  0  0            999 V2000
   -5.5803    3.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2947    3.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2947    2.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5803    2.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8658    2.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8658    3.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1514    3.7714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5803    4.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5803    1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2948    0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8658    0.8838    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  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  6  7  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 — 14 of approximately 14 results

PHUB000031 Score: 1.0	Carvacrol precursor	C₁₀H₁₄O Mono mass: 150.104465071
PHUB001787 Score: 0.906	2,3-Dihydroxy-p-cymene 490-06-2 metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB001825 Score: 0.906	2,5-dihydroxy-p-cymene 2217-60-9 metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB000096 Score: 0.882	Thymol precursor	C₁₀H₁₄O Mono mass: 150.104465071
PHUB001790 Score: 0.873	2-Hydroxymethyl-5-(1-methylethyl)phenol metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB001789 Score: 0.857	2-(-3-Hydroxy-4-methylphenyl)propan-1-ol metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB001788 Score: 0.828	2-(-3-Hydroxy-4-methylphenyl)propan-2-ol 4397-18-6 metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB001827 Score: 0.789	5-hydroxymethyl-2-(1-methylethyl)phenol 77311-68-3 metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB001793 Score: 0.774	2-(4-Hydroxymethyl-3-hydroxyphenyl)propan-1-ol metabolite	C₁₀H₁₄O₃ Mono mass: 182.094294311
PHUB001826 Score: 0.75	2-(2-hydroxy-4-methylphenyl)propan-1-ol metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB000538 Score: 0.722	4-Ethylcatechol precursor metabolite	C₈H₁₀O₂ Mono mass: 138.068079562
PHUB000533 Score: 0.72	3-Methylcatechol precursor metabolite	C₇H₈O₂ Mono mass: 124.052429498
PHUB001791 Score: 0.716	2-(3-Hydroxy-4-methylphenyl)propionic acid metabolite	C₁₀H₁₂O₃ Mono mass: 180.078644246
PHUB002609 Score: 0.709	2-(3-hydroxyphenyl)-ethanol metabolite	C₈H₁₀O₂ Mono mass: 138.068079562