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  Mrv2104 06072104352D

21 21  0  0  1  0            999 V2000
    1.3071   -1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3071   -2.7106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0199   -3.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0199   -3.9504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7390   -4.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4518   -3.9504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4518   -3.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7390   -2.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7390   -1.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7390   -5.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4518   -5.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4518   -6.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1709   -6.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1709   -7.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8837   -8.0848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4518   -8.0848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1709   -5.1901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8837   -5.6054    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4746   -6.3182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2991   -4.8926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6028   -6.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  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 — 6 of approximately 6 results

PHUB001992 Score: 1.0	4-sulfoxy-5-(4'-hydroxy-3'-methoxyphenyl)valeric acid metabolite	C₁₂H₁₆O₈S Mono mass: 320.056588649
PHUB001991 Score: 0.937	4-sulfoxy-5-(3’,4’-dihydroxyphenyl)valeric acid metabolite	C₁₁H₁₄O₈S Mono mass: 306.040938585
PHUB002779 Score: 0.778	4-sulfoxy-5-(phenyl)valeric acid metabolite	C₁₁H₁₄O₆S Mono mass: 274.051109345
PHUB002781 Score: 0.73	4-Hydroxy-5-(3'-hydroxy- 4'-methoxyphenyl)valeric acid metabolite	C₁₂H₁₆O₅ Mono mass: 240.099773615
PHUB002783 Score: 0.73	4-Hydroxy-5-(4'-hydroxy- 3'-methoxyphenyl)valeric acid metabolite	C₁₂H₁₆O₅ Mono mass: 240.099773615
PHUB001988 Score: 0.716	4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-sulfate metabolite	C₁₂H₁₆O₈S Mono mass: 320.056588649