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Mrv2104 06072104332D

14 14  0  0  0  0            999 V2000
   -0.0884    5.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8028    4.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8028    4.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0884    3.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6261    4.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6261    4.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5173    3.7051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3405    5.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0550    4.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7694    5.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4840    4.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1984    5.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9128    4.9426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1984    6.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 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 — 11 of approximately 11 results

PHUB001835 Score: 1.0	4'-Hydroxyphenylvaleric acid metabolite	C₁₁H₁₄O₃ Mono mass: 194.094294311
PHUB001061 Score: 0.875	5-(3',4'-dihydroxyphenyl)valeric acid metabolite	C₁₁H₁₄O₄ Mono mass: 210.089208931
PHUB001063 Score: 0.857	5-(3'-hydroxyphenyl)valeric acid metabolite	C₁₁H₁₄O₃ Mono mass: 194.094294311
PHUB001836 Score: 0.84	3’,4’,5’-Trihydroxyphenylvaleric acid metabolite	C₁₁H₁₄O₅ Mono mass: 226.084123551
PHUB001994 Score: 0.822	5-(3',5'-dihydroxyphenyl)valeric acid 74356-41-5 metabolite	C₁₁H₁₄O₄ Mono mass: 210.089208931
PHUB001380 Score: 0.811	5-(3,5-dihydroxyphenyl)pentanoic acid 74356-41-5 metabolite	C₁₂H₁₆O₄ Mono mass: 224.104858995
PHUB002921 Score: 0.811	5-(2-Carboxynonadecyl)-resorcinol metabolite	C₂₅H₄₂O₄ Mono mass: 406.308309832
PHUB000605 Score: 0.743	Phloretic acid 501-97-3 precursor metabolite	C₉H₁₀O₃ Mono mass: 166.062994182
PHUB001177 Score: 0.743	4-Hydroxyphenylpropionic acid 501-97-3 metabolite	C₉H₁₀O₃ Mono mass: 166.062994182
PHUB001987 Score: 0.741	4-hydroxy-5-(3',4'-dihydroxyphenyl)valeric acid metabolite	C₁₁H₁₄O₅ Mono mass: 226.084123551
PHUB001749 Score: 0.723	5-(3'-Hydroxyphenyl)-gamma-hydroxyvaleric acid metabolite	C₁₁H₁₄O₄ Mono mass: 210.089208931
PHUB002925 Score: 0.701	5-(Nona-10Z,13Z-decadienyl)-resorcinol precursor	C₂₅H₃₈O₄ Mono mass: 402.277009704