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3,7-Dimethyl-octan-1,8-dioic acid
  Mrv2104 06072104272D

14 13  0  0  0  0            999 V2000
   13.0530   -8.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6255   -8.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7704   -9.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9081   -9.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4841   -8.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1944   -8.9003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1978   -9.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9153   -8.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6289   -9.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6264   -8.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4841   -8.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9163   -8.0753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9072  -10.1391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3397   -9.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 14  1  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  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  2 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  4 13  1  0  0  0  0
  2 14  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 — 13 of approximately 13 results

PHUB000936 Score: 1.0	3,7-Dimethyl-octan-1,8-dioic acid metabolite	C₁₀H₁₈O₄ Mono mass: 202.12050906
PHUB000920 Score: 0.939	Phytanic acid metabolite	C₂₀H₄₀O₂ Mono mass: 312.302830528
PHUB000927 Score: 0.939	Pristanic acid metabolite	C₁₉H₃₈O₂ Mono mass: 298.287180464
PHUB003068 Score: 0.846	Dihydromyrtenic acid metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB000963 Score: 0.805	Carane 9,10-dicarboxylic acid metabolite	C₁₀H₁₄O₄ Mono mass: 198.089208931
PHUB002623 Score: 0.78	8,9-dihydroxy-p-menthan-7-oic acid metabolite	C₁₀H₁₈O₄ Mono mass: 202.12050906
PHUB000926 Score: 0.762	Hydroxyphytanic acid (alpha-) metabolite	C₂₀H₄₀O₃ Mono mass: 328.297745148
PHUB003077 Score: 0.75	3-hydroxy-p-menthan-9-oic acid metabolite	C₁₀H₁₈O₃ Mono mass: 186.12559444
PHUB001020 Score: 0.744	Menthane (3-hydroxy-p-, 9-carboxylic acid) metabolite	C₁₁H₂₀O₃ Mono mass: 200.141244504
PHUB001012 Score: 0.727	3-hydroxy-p-menthan-7-oic acid metabolite	C₁₀H₁₈O₃ Mono mass: 186.12559444
PHUB002612 Score: 0.727	2-hydroxy-p-menthan-7-oic acid metabolite	C₁₀H₁₈O₃ Mono mass: 186.12559444
PHUB001000 Score: 0.705	Dihydroperillic acid (trans-) metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB001001 Score: 0.705	Dihydroperillic acid (cis-) metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755