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Mrv2104 09182118182D

12 12  0  0  0  0            999 V2000
   -1.1830    2.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8974    1.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8974    0.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1830    0.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4685    0.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4685    1.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2458    2.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2458    2.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4686    3.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9603    3.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -0.4223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8975   -0.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  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 — 14 of approximately 14 results

PHUB002138 Score: 1.0	3'-Methoxyphenylacetic acid metabolite	C₉H₁₀O₃ Mono mass: 166.062994182
PHUB000617 Score: 0.917	Homovanillic acid 306-08-1 precursor metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB001920 Score: 0.917	3'-Methoxy-4'-hydroxyphenylacetic acid metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB000618 Score: 0.904	Homoveratric acid metabolite	C₁₀H₁₂O₄ Mono mass: 196.073558866
PHUB001048 Score: 0.894	3'-Hydroxyphenylacetic acid 621-37-4 metabolite	C₈H₈O₃ Mono mass: 152.047344118
PHUB002805 Score: 0.889	3’-hydroxy-4’-methoxyphenylacetic acid metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB000527 Score: 0.843	3',4'-Dihydroxyphenylacetic acid 102-32-9 precursor metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB001791 Score: 0.822	2-(3-Hydroxy-4-methylphenyl)propionic acid metabolite	C₁₀H₁₂O₃ Mono mass: 180.078644246
PHUB000543 Score: 0.75	4'-Hydroxyphenylacetic acid 156-38-7 precursor metabolite	C₈H₈O₃ Mono mass: 152.047344118
PHUB001440 Score: 0.75	Homovanillyl alcohol 2380-78-1 precursor	C₉H₁₂O₃ Mono mass: 168.078644246
PHUB001585 Score: 0.75	Vanillylmandelic acid 55-10-7 metabolite	C₉H₁₀O₅ Mono mass: 198.052823422
PHUB001981 Score: 0.738	3-hydroxymandelic acid 17119-15-2 metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB001130 Score: 0.713	2-Methoxyphenylacetic acid metabolite	C₉H₁₀O₃ Mono mass: 166.062994182
PHUB001830 Score: 0.713	2-(2-hydroxy-4-methylphenyl)propionic acid metabolite	C₁₀H₁₂O₃ Mono mass: 180.078644246
PHUB001589 Score: 0.7	3-(3'-Methoxyphenyl)propionic acid 1798-09-0 metabolite	C₁₀H₁₂O₃ Mono mass: 180.078644246