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Mrv2104 06072104242D

13 13  0  0  0  0            999 V2000
   -1.6292   -0.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3436   -0.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0582   -0.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0582   -1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3438   -1.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6292   -1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7727   -0.0902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7727   -1.7401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9148   -0.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2003   -0.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5141   -0.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5141    0.7349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2286   -0.5025    0.0000 O   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
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  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 — 24 of approximately 24 results

PHUB000604 Score: 1.0	Dihydrocaffeic acid 1078-61-1 precursor metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB001046 Score: 1.0	3-(3',4'-Dihydroxyphenyl)propionic acid metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB001047 Score: 0.926	3-(3'-Hydroxyphenyl)propionic acid 621-54-5 metabolite	C₉H₁₀O₃ Mono mass: 166.062994182
PHUB001433 Score: 0.907	Dihydroisoferulic acid metabolite	C₁₀H₁₂O₄ Mono mass: 196.073558866
PHUB002140 Score: 0.907	3-(3'-hydroxy-4'-methoxyphenyl)propanoic acid metabolite	C₁₀H₁₂O₄ Mono mass: 196.073558866
PHUB001381 Score: 0.887	3-(3,5-Dihydroxyphenyl)propanoic acid 26539-01-5 metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB001168 Score: 0.883	Dihydroferulic acid 1135-23-5 metabolite	C₁₀H₁₂O₄ Mono mass: 196.073558866
PHUB002451 Score: 0.872	3',4'-Dimethoxyphenylpropanoic acid metabolite	C₁₁H₁₄O₄ Mono mass: 210.089208931
PHUB000605 Score: 0.868	Phloretic acid 501-97-3 precursor metabolite	C₉H₁₀O₃ Mono mass: 166.062994182
PHUB001177 Score: 0.868	4-Hydroxyphenylpropionic acid 501-97-3 metabolite	C₉H₁₀O₃ Mono mass: 166.062994182
PHUB001589 Score: 0.84	3-(3'-Methoxyphenyl)propionic acid 1798-09-0 metabolite	C₁₀H₁₂O₃ Mono mass: 180.078644246
PHUB001982 Score: 0.84	2-hydroxy-3-(3',4'-dihydroxyphenyl)propanoic acid 23028-17-3 metabolite	C₉H₁₀O₅ Mono mass: 198.052823422
PHUB002763 Score: 0.84	3,4-dihydroxyphenyllactic acid metabolite	C₉H₁₀O₅ Mono mass: 198.052823422
PHUB001590 Score: 0.808	3-(4'-Methoxyphenyl)propionic acid 1929-29-9 metabolite	C₁₀H₁₂O₃ Mono mass: 180.078644246
PHUB002608 Score: 0.791	Dihydrocaffeoyl-glycerol metabolite	C₁₄H₂₀O₄ Mono mass: 252.136159124
PHUB002765 Score: 0.782	4-Methoxy,3-hydroxyphenyllactic acid metabolite	C₁₀H₁₂O₅ Mono mass: 212.068473486
PHUB001061 Score: 0.772	5-(3',4'-dihydroxyphenyl)valeric acid metabolite	C₁₁H₁₄O₄ Mono mass: 210.089208931
PHUB001331 Score: 0.768	3-(3'-Hydroxyphenyl)hydracrylic acid 3247-75-4 metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB001153 Score: 0.764	3-(4'-Hydroxy-3'-methoxyphenyl)pyruvic acid 1081-71-6 metabolite	C₁₀H₁₀O₅ Mono mass: 210.052823422
PHUB002764 Score: 0.764	3-Methoxy,4-hydroxyphenyllactic acid metabolite	C₁₀H₁₂O₅ Mono mass: 212.068473486
PHUB001069 Score: 0.756	3-(3'-Hydroxy-4'-methoxyphenyl)hydracrylic acid metabolite	C₁₀H₁₂O₅ Mono mass: 212.068473486
PHUB002105 Score: 0.75	test2	C₉H₁₂O₂ Mono mass: 152.083729626
PHUB001836 Score: 0.744	3’,4’,5’-Trihydroxyphenylvaleric acid metabolite	C₁₁H₁₄O₅ Mono mass: 226.084123551
PHUB001332 Score: 0.731	3-(3'-Methoxy-4'-hydroxyphenyl)hydracrylic acid metabolite	C₁₀H₁₂O₅ Mono mass: 212.068473486
PHUB001983 Score: 0.728	2-hydroxy-3-(4'-hydroxyphenyl)propanoic acid 306-23-0 metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB000623 Score: 0.727	Melilotic acid precursor	C₉H₁₀O₃ Mono mass: 166.062994182
PHUB001063 Score: 0.709	5-(3'-hydroxyphenyl)valeric acid metabolite	C₁₁H₁₄O₃ Mono mass: 194.094294311
PHUB001078 Score: 0.706	3-Phenylpropionic acid 501-52-0 metabolite	C₉H₁₀O₂ Mono mass: 150.068079562