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Mrv2104 06072104352D

16 16  0  0  0  0            999 V2000
    7.6874   -3.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9730   -3.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2585   -3.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2585   -4.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5439   -4.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8296   -4.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8296   -3.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5439   -3.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4019   -3.2149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1151   -4.8648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6861   -4.8648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4005   -4.4523    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8130   -3.7379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9880   -3.7379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5439   -5.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8294   -6.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  6 10  1  0  0  0  0
 10 12  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
  5 15  1  0  0  0  0
 15 16  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 — 16 of approximately 16 results

PHUB001958 Score: 1.0	3-Methoxytyramine sulfate metabolite	C₉H₁₃NO₅S Mono mass: 247.051443697
PHUB001888 Score: 0.877	Eugenol sulfate metabolite	C₁₀H₁₂O₅S Mono mass: 244.04054466
PHUB001952 Score: 0.87	Dopamine 4-O-sulfate 38339-02-5 metabolite	C₈H₁₁NO₅S Mono mass: 233.035793632
PHUB001951 Score: 0.829	Dopamine 3-O-sulfate 51317-41-0 metabolite biomarker	C₈H₁₁NO₅S Mono mass: 233.035793632
PHUB001375 Score: 0.809	Homovanillic acid sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002228 Score: 0.809	3′-Methoxyphenylacetic acid-4′-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002807 Score: 0.809	3’-methoxyphenyl acetic acid -4’-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002388 Score: 0.786	Hydroxytyrosol 4'-sulfate 425408-51-1 metabolite	C₈H₁₀O₆S Mono mass: 234.019809216
PHUB001436 Score: 0.775	Dihydroferulic acid-4'-sulfate metabolite	C₁₀H₁₂O₇S Mono mass: 276.0303739
PHUB001377 Score: 0.773	Vanillin 4-sulfate metabolite	C₈H₈O₆S Mono mass: 232.004159152
PHUB002229 Score: 0.758	4′-Methoxyphenylacetic acid-3′-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002815 Score: 0.758	4’-hydroxyphenyl-acetic acid-3’-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002387 Score: 0.75	Hydroxytyrosol 3'-sulfate metabolite	C₈H₁₀O₆S Mono mass: 234.019809216
PHUB002797 Score: 0.742	Octahydrocurcumin sulfate metabolite	C₂₁H₂₈O₉S Mono mass: 456.145403656
PHUB001592 Score: 0.728	Dihydroisoferulic acid-3'-O-sulfate metabolite	C₁₀H₁₂O₇S Mono mass: 276.0303739
PHUB001960 Score: 0.72	Tyramine O-sulfate metabolite	C₈H₁₁NO₄S Mono mass: 217.040879012
PHUB002768 Score: 0.71	3-Methoxyphenyllactic acid-4-sulfate metabolite	C₁₀H₁₂O₈S Mono mass: 292.02528852
PHUB001294 Score: 0.705	Vanillic acid-4-O-sulfate metabolite	C₈H₈O₇S Mono mass: 247.999073772
PHUB001921 Score: 0.704	3-Hydroxybenzoic acid-4-sulfate metabolite	C₈H₈O₇S Mono mass: 247.999073772
PHUB002849 Score: 0.704	Phenylacetic acid-4’-sulfate metabolite	C₈H₈O₇S Mono mass: 247.999073772