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3,7-Dimethyl-2-octaen-1,8-dioic acid
  Mrv2104 06072104272D

14 13  0  0  0  0            999 V2000
   12.3392   -9.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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  7  2  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  3 11  1  0  0  0  0
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
  5 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 — 8 of approximately 8 results

PHUB000933 Score: 1.0	3,7-Dimethyl-2-octaen-1,8-dioic acid metabolite	C₁₀H₁₆O₄ Mono mass: 200.104858995
PHUB000934 Score: 0.803	3,7-Dimethyl-6-octaen-1,8-dioic acid metabolite	C₁₀H₁₆O₄ Mono mass: 200.104858995
PHUB001809 Score: 0.803	3,7-dimethyl-6-octenedioic acid metabolite	C₁₀H₁₆O₄ Mono mass: 200.104858995
PHUB001812 Score: 0.803	(6E)-3,7-dimethyl-6-octene-1,8-dioic acid metabolite	C₁₀H₁₆O₄ Mono mass: 200.104858995
PHUB000921 Score: 0.782	Phytenic acid (trans-delta 2-) metabolite	C₂₀H₃₈O₂ Mono mass: 310.287180464
PHUB000922 Score: 0.782	Phytenic acid (cis-delta 2-) metabolite	C₂₀H₃₈O₂ Mono mass: 310.287180464
PHUB000996 Score: 0.779	Perillic acid metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB001028 Score: 0.722	Myrtenic acid metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB000999 Score: 0.716	Perillic acid-8,9-diol metabolite	C₁₀H₁₆O₄ Mono mass: 200.104858995
PHUB001808 Score: 0.714	3-hydroxy-3,7-dimethyl-6-octenedioic acid metabolite	C₁₀H₁₆O₅ Mono mass: 216.099773615