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Cuminaldehyde metabolite 4
  Mrv2104 06072104282D

14 14  0  0  0  0            999 V2000
    0.4195   -2.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2949   -3.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4195   -1.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0094   -2.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2949   -1.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0094   -1.8880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7239   -3.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4384   -2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7240   -3.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1340   -1.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8485   -1.8880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1340   -0.6504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4385   -4.3629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0096   -4.3631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  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 — 9 of approximately 9 results

PHUB000979 Score: 1.0	Cuminaldehyde metabolite 4 metabolite	C₁₀H₁₀O₄ Mono mass: 194.057908802
PHUB000978 Score: 0.883	Cuminaldehyde metabolite 3 metabolite	C₁₀H₁₂O₃ Mono mass: 180.078644246
PHUB000982 Score: 0.8	Tolylpropionic acid (alpha-,p-) metabolite	C₁₀H₁₂O₂ Mono mass: 164.083729626
PHUB000986 Score: 0.783	Isopropylbenzoic acid (p-) metabolite	C₁₀H₁₂O₂ Mono mass: 164.083729626
PHUB001025 Score: 0.783	Perillyl aldehyde metabolite 4 metabolite	C₁₀H₁₂O₂ Mono mass: 164.083729626
PHUB000984 Score: 0.779	Tolyl-alpha-hydroxylpropionic acid (alpha-) metabolite	C₁₀H₁₂O₃ Mono mass: 180.078644246
PHUB000977 Score: 0.762	Cuminaldehyde metabolite 2 metabolite	C₁₀H₁₂O₃ Mono mass: 180.078644246
PHUB000987 Score: 0.762	1-Hydroxyisopropylbenzoic acid (p-) metabolite	C₁₀H₁₂O₃ Mono mass: 180.078644246
PHUB001793 Score: 0.723	2-(4-Hydroxymethyl-3-hydroxyphenyl)propan-1-ol metabolite	C₁₀H₁₀O₅ Mono mass: 210.052823422
PHUB001068 Score: 0.717	Phenylacetic acid 103-82-2 metabolite	C₈H₈O₂ Mono mass: 136.052429498
PHUB001132 Score: 0.717	4-Ethylbenzoic acid metabolite	C₉H₁₀O₂ Mono mass: 150.068079562