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Mrv2104 06072104352D

15 15  0  0  0  0            999 V2000
    7.8768   -4.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5912   -4.5935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3058   -4.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3058   -3.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5912   -2.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8768   -3.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1622   -4.5935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0203   -2.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7349   -3.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4493   -2.9434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7552   -3.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4478   -4.1808    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8602   -3.4665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0794   -4.8145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5912   -5.4186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  8  4  1  0  0  0  0
  6  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
  2 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 — 15 of approximately 15 results

PHUB001952 Score: 1.0	Dopamine 4-O-sulfate 38339-02-5 metabolite	C₈H₁₁NO₅S Mono mass: 233.035793632
PHUB001951 Score: 0.946	Dopamine 3-O-sulfate 51317-41-0 metabolite biomarker	C₈H₁₁NO₅S Mono mass: 233.035793632
PHUB002388 Score: 0.879	Hydroxytyrosol 4'-sulfate 425408-51-1 metabolite	C₈H₁₀O₆S Mono mass: 234.019809216
PHUB001958 Score: 0.87	3-Methoxytyramine sulfate metabolite	C₉H₁₃NO₅S Mono mass: 247.051443697
PHUB002387 Score: 0.833	Hydroxytyrosol 3'-sulfate metabolite	C₈H₁₀O₆S Mono mass: 234.019809216
PHUB001960 Score: 0.828	Tyramine O-sulfate metabolite	C₈H₁₁NO₄S Mono mass: 217.040879012
PHUB001921 Score: 0.777	3-Hydroxybenzoic acid-4-sulfate metabolite	C₈H₈O₇S Mono mass: 247.999073772
PHUB002849 Score: 0.777	Phenylacetic acid-4’-sulfate metabolite	C₈H₈O₇S Mono mass: 247.999073772
PHUB001888 Score: 0.755	Eugenol sulfate metabolite	C₁₀H₁₂O₅S Mono mass: 244.04054466
PHUB001206 Score: 0.741	Dihydrocaffeic acid-4'-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002808 Score: 0.741	4’-hydroxyphenylacetic acid-3’-sulfate metabolite	C₈H₈O₇S Mono mass: 247.999073772
PHUB002842 Score: 0.736	Phenylacetic acid-3’,4’-di-sulfate metabolite	C₈H₈O₁₀S₂ Mono mass: 327.955888806
PHUB002785 Score: 0.727	5-(3'-Hydroxyphenyl)valeric acid-4'-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB001891 Score: 0.717	Chavicol sulfate metabolite	C₉H₁₀O₄S Mono mass: 214.029979976
PHUB001373 Score: 0.714	Tyrosol 4-sulfate metabolite	C₈H₁₀O₅S Mono mass: 218.024894596
PHUB001588 Score: 0.708	Dihydrocaffeic acid-3-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB001753 Score: 0.708	3-(4'-Hydroxyphenyl)propionic acid-3'-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836