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Mrv2104 02212309072D

13 13  0  0  0  0            999 V2000
    2.5859    2.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3003    2.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3003    1.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5859    0.9606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8714    1.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8714    2.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1569    2.6106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5859    3.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8714    3.8481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3003    3.8481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5859    0.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3003   -0.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8714   -0.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  8  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  6  7  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  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 — 13 of approximately 13 results

PHUB002612 Score: 1.0	2-hydroxy-p-menthan-7-oic acid metabolite	C₁₀H₁₈O₃ Mono mass: 186.12559444
PHUB002623 Score: 0.844	8,9-dihydroxy-p-menthan-7-oic acid metabolite	C₁₀H₁₈O₄ Mono mass: 202.12050906
PHUB001013 Score: 0.833	Methane (3,8-dihydroxy-7-carboxylic acid) metabolite	C₁₀H₁₈O₄ Mono mass: 202.12050906
PHUB001018 Score: 0.833	3,8-dihydroxy-p-menthan-7-oic acid metabolite	C₁₀H₁₈O₄ Mono mass: 202.12050906
PHUB001020 Score: 0.809	Menthane (3-hydroxy-p-, 9-carboxylic acid) metabolite	C₁₁H₂₀O₃ Mono mass: 200.141244504
PHUB001012 Score: 0.792	3-hydroxy-p-menthan-7-oic acid metabolite	C₁₀H₁₈O₃ Mono mass: 186.12559444
PHUB001802 Score: 0.782	1,4-cineol-9-carboxylic acid metabolite	C₁₀H₁₆O₃ Mono mass: 184.109944375
PHUB000633 Score: 0.778	Quinic acid precursor	C₇H₁₂O₆ Mono mass: 192.063388106
PHUB003077 Score: 0.776	3-hydroxy-p-menthan-9-oic acid metabolite	C₁₀H₁₈O₃ Mono mass: 186.12559444
PHUB000926 Score: 0.75	Hydroxyphytanic acid (alpha-) metabolite	C₂₀H₄₀O₃ Mono mass: 328.297745148
PHUB003068 Score: 0.745	Dihydromyrtenic acid metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB000936 Score: 0.727	3,7-Dimethyl-octan-1,8-dioic acid metabolite	C₁₀H₁₈O₄ Mono mass: 202.12050906
PHUB000927 Score: 0.721	Pristanic acid metabolite	C₁₉H₃₈O₂ Mono mass: 298.287180464
PHUB000963 Score: 0.714	Carane 9,10-dicarboxylic acid metabolite	C₁₀H₁₄O₄ Mono mass: 198.089208931