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Mrv2104 06072104322D

15 15  0  0  0  0            999 V2000
   -1.3922    1.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1067    1.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1067    0.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3922    0.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6777    0.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6777    1.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3922    2.6002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8211    0.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5356    0.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2501    0.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9646    0.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5356    1.3627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6791    0.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3935    0.5376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6790   -0.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  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
  1  7  1  0  0  0  0
  3  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
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  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 — 20 of approximately 20 results

PHUB001749 Score: 1.0	5-(3'-Hydroxyphenyl)-gamma-hydroxyvaleric acid metabolite	C₁₁H₁₄O₄ Mono mass: 210.089208931
PHUB001987 Score: 0.941	4-hydroxy-5-(3',4'-dihydroxyphenyl)valeric acid metabolite	C₁₁H₁₄O₅ Mono mass: 226.084123551
PHUB002781 Score: 0.87	4-Hydroxy-5-(3'-hydroxy- 4'-methoxyphenyl)valeric acid metabolite	C₁₂H₁₆O₅ Mono mass: 240.099773615
PHUB002783 Score: 0.87	4-Hydroxy-5-(4'-hydroxy- 3'-methoxyphenyl)valeric acid metabolite	C₁₂H₁₆O₅ Mono mass: 240.099773615
PHUB001063 Score: 0.838	5-(3'-hydroxyphenyl)valeric acid metabolite	C₁₁H₁₄O₃ Mono mass: 194.094294311
PHUB001994 Score: 0.807	5-(3',5'-dihydroxyphenyl)valeric acid 74356-41-5 metabolite	C₁₁H₁₄O₄ Mono mass: 210.089208931
PHUB001249 Score: 0.806	5-(3'-Hydroxyphenyl)-gamma-valerolactone metabolite	C₁₁H₁₂O₃ Mono mass: 192.078644246
PHUB001380 Score: 0.798	5-(3,5-dihydroxyphenyl)pentanoic acid 74356-41-5 metabolite	C₁₂H₁₆O₄ Mono mass: 224.104858995
PHUB001061 Score: 0.788	5-(3',4'-dihydroxyphenyl)valeric acid metabolite	C₁₁H₁₄O₄ Mono mass: 210.089208931
PHUB002235 Score: 0.782	5-(3′,5′-Dihydroxyphenyl)-γ-valerolactone metabolite	C₁₁H₁₂O₄ Mono mass: 208.073558866
PHUB001060 Score: 0.767	5-(3',4'-dihydroxyphenyl)-gamma-valerolactone 21618-92-8 metabolite	C₁₁H₁₂O₄ Mono mass: 208.073558866
PHUB001993 Score: 0.767	5-(3',4'-dihydroxyphenyl)-γ-valerolactone 21618-92-8 / 1108192-01-3 / 191666-22-5 metabolite	C₁₁H₁₂O₄ Mono mass: 208.073558866
PHUB001836 Score: 0.761	3’,4’,5’-Trihydroxyphenylvaleric acid metabolite	C₁₁H₁₄O₅ Mono mass: 226.084123551
PHUB001833 Score: 0.745	5-(3’,4’,5’-trihydroxyphenyl)-gamma-valerolactone metabolite	C₁₁H₁₂O₅ Mono mass: 224.068473486
PHUB002778 Score: 0.725	5-(3'- Hydroxy-4'-methoxyphenyl)-γ-valerolactone metabolite	C₁₂H₁₄O₄ Mono mass: 222.089208931
PHUB001835 Score: 0.723	4'-Hydroxyphenylvaleric acid metabolite	C₁₁H₁₄O₃ Mono mass: 194.094294311
PHUB001750 Score: 0.714	5-(Phenyl)-gamma-hydroxyvaleric acid-3'-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB002220 Score: 0.714	4-Hydroxy-5-(phenyl)valeric acid-3'-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB001834 Score: 0.713	5-(4’-hydroxyphenyl)-gamma-valerolactone metabolite	C₁₁H₁₂O₃ Mono mass: 192.078644246
PHUB002145 Score: 0.712	5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-methoxy metabolite	C₁₂H₁₄O₄ Mono mass: 222.089208931
PHUB002776 Score: 0.712	5-(4'-Hydroxy-3'-methoxyphenyl)-γ-valerolactone metabolite	C₁₂H₁₄O₄ Mono mass: 222.089208931