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Phytanic acid
  Mrv2104 06072104272D

22 21  0  0  1  0            999 V2000
   11.9573   -6.7979    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2491   -7.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6723   -7.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9573   -5.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5376   -6.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3873   -6.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8192   -7.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0954   -7.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1111   -6.7979    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8103   -6.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3961   -7.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1111   -5.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5185   -7.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8103   -5.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6880   -6.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2334   -6.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9730   -7.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9450   -7.2139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2615   -6.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5499   -7.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2615   -5.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2342   -5.9729    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
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  1  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 16 22  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 — 7 of approximately 7 results

PHUB000920 Score: 1.0	Phytanic acid metabolite	C₂₀H₄₀O₂ Mono mass: 312.302830528
PHUB000936 Score: 0.939	3,7-Dimethyl-octan-1,8-dioic acid metabolite	C₁₀H₁₈O₄ Mono mass: 202.12050906
PHUB000927 Score: 0.879	Pristanic acid metabolite	C₁₉H₃₈O₂ Mono mass: 298.287180464
PHUB000926 Score: 0.756	Hydroxyphytanic acid (alpha-) metabolite	C₂₀H₄₀O₃ Mono mass: 328.297745148
PHUB000963 Score: 0.756	Carane 9,10-dicarboxylic acid metabolite	C₁₀H₁₄O₄ Mono mass: 198.089208931
PHUB001020 Score: 0.738	Menthane (3-hydroxy-p-, 9-carboxylic acid) metabolite	C₁₁H₂₀O₃ Mono mass: 200.141244504
PHUB002623 Score: 0.732	8,9-dihydroxy-p-menthan-7-oic acid metabolite	C₁₀H₁₈O₄ Mono mass: 202.12050906