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Mrv2104 06072104342D

14 14  0  0  0  0            999 V2000
 9998.5936 9999.1520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8795 9999.5653    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
 9997.466310000.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.290810000.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1614 9999.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.450010000.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.163210000.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.878510000.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.736510000.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.022110000.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.307510000.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3075 9999.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.0220 9999.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.7365 9999.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  1 12  1  0  0  0  0
  9  6  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 — 10 of approximately 10 results

PHUB001891 Score: 1.0	Chavicol sulfate metabolite	C₉H₁₀O₄S Mono mass: 214.029979976
PHUB001373 Score: 0.867	Tyrosol 4-sulfate metabolite	C₈H₁₀O₅S Mono mass: 218.024894596
PHUB001960 Score: 0.857	Tyramine O-sulfate metabolite	C₈H₁₁NO₄S Mono mass: 217.040879012
PHUB001959 Score: 0.823	Acetylphenol sulfate metabolite	C₈H₈O₅S Mono mass: 216.009244532
PHUB002288 Score: 0.756	hydroxyphenylacetic acid-3′-sulfate metabolite	C₈H₈O₆S Mono mass: 232.004159152
PHUB002388 Score: 0.722	Hydroxytyrosol 4'-sulfate 425408-51-1 metabolite	C₈H₁₀O₆S Mono mass: 234.019809216
PHUB001952 Score: 0.717	Dopamine 4-O-sulfate 38339-02-5 metabolite	C₈H₁₁NO₅S Mono mass: 233.035793632
PHUB001888 Score: 0.717	Eugenol sulfate metabolite	C₁₀H₁₂O₅S Mono mass: 244.04054466
PHUB001583 Score: 0.713	Benzoic acid-4-O-sulfate metabolite	C₇H₆O₆S Mono mass: 217.988509087
PHUB002227 Score: 0.707	3-(Phenyl)propionic acid-4′-sulfate metabolite	C₉H₁₀O₆S Mono mass: 246.019809216
PHUB002803 Score: 0.707	3-(Phenyl)propionic acid-4’-sulfate metabolite	C₉H₁₀O₆S Mono mass: 246.019809216