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Mrv2104 09302323552D

13 13  0  0  0  0            999 V2000
    8.6418   -6.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6418   -7.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9273   -5.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9273   -7.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2128   -6.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2128   -7.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9273   -5.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9273   -8.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1023   -8.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7523   -8.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6418   -4.6857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3562   -7.5732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9273   -9.2232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
  2 12  1  0  0  0  0
  8 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 — 17 of approximately 17 results

PHUB001014 Score: 1.0	p-menthane-3,7,8-triol metabolite	C₁₀H₂₀O₃ Mono mass: 188.141244504
PHUB001011 Score: 0.933	7-hydroxymenthol metabolite	C₁₀H₂₀O₂ Mono mass: 172.146329884
PHUB001015 Score: 0.933	8-Hydroxymenthol metabolite	C₁₀H₂₀O₂ Mono mass: 172.146329884
PHUB001019 Score: 0.933	9-hydroxymenthol metabolite	C₁₀H₂₀O₂ Mono mass: 172.146329884
PHUB000062 Score: 0.867	(-)-Menthol 2216-51-5 precursor	C₁₀H₂₀O Mono mass: 156.151415264
PHUB002809 Score: 0.867	(+)-Neomenthol 491-01-0 precursor	C₁₀H₂₀O Mono mass: 156.151415264
PHUB002811 Score: 0.867	Isomenthol 3623-52-7 precursor	C₁₀H₂₀O Mono mass: 156.151415264
PHUB001780 Score: 0.788	(+)-Borneol 464-43-7 precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB001786 Score: 0.788	Isoborneol metabolite	C₁₀H₁₈O Mono mass: 154.1357652
PHUB002859 Score: 0.788	(-)-borneol 464-45-9 precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB001801 Score: 0.744	9-hydroxy-1,4-cineol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000084 Score: 0.743	4-thujanol (cis) precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000085 Score: 0.743	4-thujanol (trans) precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000093 Score: 0.743	Thujan-3-ol precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000957 Score: 0.743	Camphene-2,10-glycol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000958 Score: 0.743	Camphene-10,2-glycol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000961 Score: 0.743	3-Hydroxytricyclene metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB001822 Score: 0.733	tetrahydrolinalool 78-69-3 metabolite	C₁₀H₂₂O Mono mass: 158.167065328
PHUB001797 Score: 0.711	1,4-cineole precursor	C₁₀H₁₈O Mono mass: 154.1357652