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Mrv2104 06072104342D

16 16  0  0  0  0            999 V2000
    4.5080    2.0130    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.7755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    2.4256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0955    2.7275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9205    1.2985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -2.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -2.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  2 11  1  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 14 16  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 — 15 of approximately 15 results

PHUB001888 Score: 1.0	Eugenol sulfate metabolite	C₁₀H₁₂O₅S Mono mass: 244.04054466
PHUB001958 Score: 0.877	3-Methoxytyramine sulfate metabolite	C₉H₁₃NO₅S Mono mass: 247.051443697
PHUB001375 Score: 0.8	Homovanillic acid sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002228 Score: 0.8	3′-Methoxyphenylacetic acid-4′-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002807 Score: 0.8	3’-methoxyphenyl acetic acid -4’-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB001377 Score: 0.78	Vanillin 4-sulfate metabolite	C₈H₈O₆S Mono mass: 232.004159152
PHUB002388 Score: 0.777	Hydroxytyrosol 4'-sulfate 425408-51-1 metabolite	C₈H₁₀O₆S Mono mass: 234.019809216
PHUB001436 Score: 0.767	Dihydroferulic acid-4'-sulfate metabolite	C₁₀H₁₂O₇S Mono mass: 276.0303739
PHUB001952 Score: 0.755	Dopamine 4-O-sulfate 38339-02-5 metabolite	C₈H₁₁NO₅S Mono mass: 233.035793632
PHUB002229 Score: 0.75	4′-Methoxyphenylacetic acid-3′-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002815 Score: 0.75	4’-hydroxyphenyl-acetic acid-3’-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002797 Score: 0.748	Octahydrocurcumin sulfate metabolite	C₂₁H₂₈O₉S Mono mass: 456.145403656
PHUB002387 Score: 0.741	Hydroxytyrosol 3'-sulfate metabolite	C₈H₁₀O₆S Mono mass: 234.019809216
PHUB001951 Score: 0.721	Dopamine 3-O-sulfate 51317-41-0 metabolite biomarker	C₈H₁₁NO₅S Mono mass: 233.035793632
PHUB001592 Score: 0.72	Dihydroisoferulic acid-3'-O-sulfate metabolite	C₁₀H₁₂O₇S Mono mass: 276.0303739
PHUB001891 Score: 0.717	Chavicol sulfate metabolite	C₉H₁₀O₄S Mono mass: 214.029979976
PHUB001294 Score: 0.711	Vanillic acid-4-O-sulfate metabolite	C₈H₈O₇S Mono mass: 247.999073772
PHUB002768 Score: 0.702	3-Methoxyphenyllactic acid-4-sulfate metabolite	C₁₀H₁₂O₈S Mono mass: 292.02528852