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Mrv2104 06072104292D

14 14  0  0  0  0            999 V2000
    2.2110    3.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4965    2.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7820    3.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7820    4.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4965    4.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2110    4.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0676    2.9486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9254    4.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9254    5.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6399    5.8361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0676    2.1236    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0676    1.2986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7574    2.1236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8926    2.1236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  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 — 12 of approximately 12 results

PHUB001373 Score: 1.0	Tyrosol 4-sulfate metabolite	C₈H₁₀O₅S Mono mass: 218.024894596
PHUB001891 Score: 0.867	Chavicol sulfate metabolite	C₉H₁₀O₄S Mono mass: 214.029979976
PHUB002288 Score: 0.863	hydroxyphenylacetic acid-3′-sulfate metabolite	C₈H₈O₆S Mono mass: 232.004159152
PHUB001960 Score: 0.855	Tyramine O-sulfate metabolite	C₈H₁₁NO₄S Mono mass: 217.040879012
PHUB001959 Score: 0.844	Acetylphenol sulfate metabolite	C₈H₈O₅S Mono mass: 216.009244532
PHUB002388 Score: 0.821	Hydroxytyrosol 4'-sulfate 425408-51-1 metabolite	C₈H₁₀O₆S Mono mass: 234.019809216
PHUB002387 Score: 0.775	Hydroxytyrosol 3'-sulfate metabolite	C₈H₁₀O₆S Mono mass: 234.019809216
PHUB001583 Score: 0.729	Benzoic acid-4-O-sulfate metabolite	C₇H₆O₆S Mono mass: 217.988509087
PHUB002227 Score: 0.722	3-(Phenyl)propionic acid-4′-sulfate metabolite	C₉H₁₀O₆S Mono mass: 246.019809216
PHUB002803 Score: 0.722	3-(Phenyl)propionic acid-4’-sulfate metabolite	C₉H₁₀O₆S Mono mass: 246.019809216
PHUB002846 Score: 0.72	Phenylacetic acid-3’-sulfate metabolite	C₈H₈O₆S Mono mass: 232.004159152
PHUB001921 Score: 0.719	3-Hydroxybenzoic acid-4-sulfate metabolite	C₈H₈O₇S Mono mass: 247.999073772
PHUB002849 Score: 0.719	Phenylacetic acid-4’-sulfate metabolite	C₈H₈O₇S Mono mass: 247.999073772
PHUB001952 Score: 0.714	Dopamine 4-O-sulfate 38339-02-5 metabolite	C₈H₁₁NO₅S Mono mass: 233.035793632