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Mrv2104 06072104292D

13 13  0  0  0  0            999 V2000
   -0.2230    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9374    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6520    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6520   -0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2229   -0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9374    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3665   -0.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4914   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2059   -0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9204   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9204   -1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6348   -0.4124    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
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  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
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 — 19 of approximately 19 results

PHUB001381 Score: 1.0	3-(3,5-Dihydroxyphenyl)propanoic acid 26539-01-5 metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB001047 Score: 0.955	3-(3'-Hydroxyphenyl)propionic acid 621-54-5 metabolite	C₉H₁₀O₃ Mono mass: 166.062994182
PHUB000604 Score: 0.887	Dihydrocaffeic acid 1078-61-1 precursor metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB001046 Score: 0.887	3-(3',4'-Dihydroxyphenyl)propionic acid metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB001589 Score: 0.863	3-(3'-Methoxyphenyl)propionic acid 1798-09-0 metabolite	C₁₀H₁₂O₃ Mono mass: 180.078644246
PHUB000605 Score: 0.812	Phloretic acid 501-97-3 precursor metabolite	C₉H₁₀O₃ Mono mass: 166.062994182
PHUB001177 Score: 0.812	4-Hydroxyphenylpropionic acid 501-97-3 metabolite	C₉H₁₀O₃ Mono mass: 166.062994182
PHUB001433 Score: 0.808	Dihydroisoferulic acid metabolite	C₁₀H₁₂O₄ Mono mass: 196.073558866
PHUB002140 Score: 0.808	3-(3'-hydroxy-4'-methoxyphenyl)propanoic acid metabolite	C₁₀H₁₂O₄ Mono mass: 196.073558866
PHUB001168 Score: 0.788	Dihydroferulic acid 1135-23-5 metabolite	C₁₀H₁₂O₄ Mono mass: 196.073558866
PHUB001331 Score: 0.788	3-(3'-Hydroxyphenyl)hydracrylic acid 3247-75-4 metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB002451 Score: 0.778	3',4'-Dimethoxyphenylpropanoic acid metabolite	C₁₁H₁₄O₄ Mono mass: 210.089208931
PHUB000623 Score: 0.77	Melilotic acid precursor	C₉H₁₀O₃ Mono mass: 166.062994182
PHUB001994 Score: 0.766	5-(3',5'-dihydroxyphenyl)valeric acid 74356-41-5 metabolite	C₁₁H₁₄O₄ Mono mass: 210.089208931
PHUB001590 Score: 0.757	3-(4'-Methoxyphenyl)propionic acid 1929-29-9 metabolite	C₁₀H₁₂O₃ Mono mass: 180.078644246
PHUB001380 Score: 0.756	5-(3,5-dihydroxyphenyl)pentanoic acid 74356-41-5 metabolite	C₁₂H₁₆O₄ Mono mass: 224.104858995
PHUB001982 Score: 0.75	2-hydroxy-3-(3',4'-dihydroxyphenyl)propanoic acid 23028-17-3 metabolite	C₉H₁₀O₅ Mono mass: 198.052823422
PHUB002763 Score: 0.75	3,4-dihydroxyphenyllactic acid metabolite	C₉H₁₀O₅ Mono mass: 198.052823422
PHUB001063 Score: 0.727	5-(3'-hydroxyphenyl)valeric acid metabolite	C₁₁H₁₄O₃ Mono mass: 194.094294311
PHUB001078 Score: 0.727	3-Phenylpropionic acid 501-52-0 metabolite	C₉H₁₀O₂ Mono mass: 150.068079562
PHUB001836 Score: 0.72	3’,4’,5’-Trihydroxyphenylvaleric acid metabolite	C₁₁H₁₄O₅ Mono mass: 226.084123551
PHUB002608 Score: 0.708	Dihydrocaffeoyl-glycerol metabolite	C₁₄H₂₀O₄ Mono mass: 252.136159124
PHUB002765 Score: 0.7	4-Methoxy,3-hydroxyphenyllactic acid metabolite	C₁₀H₁₂O₅ Mono mass: 212.068473486