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Mrv2104 06072104312D

14 14  0  0  0  0            999 V2000
    0.2551   -0.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9696   -0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4593   -0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9696    0.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4593    0.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2551    1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2551    2.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4593    2.4455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9696    2.4455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2551   -1.2669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9696   -1.6794    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3821   -0.9649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5571   -2.3939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6841   -2.0919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 11 12  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 — 13 of approximately 13 results

PHUB001583 Score: 1.0	Benzoic acid-4-O-sulfate metabolite	C₇H₆O₆S Mono mass: 217.988509087
PHUB001959 Score: 0.841	Acetylphenol sulfate metabolite	C₈H₈O₅S Mono mass: 216.009244532
PHUB001291 Score: 0.83	Protocatechuic acid-4-O-sulfate metabolite	C₇H₆O₇S Mono mass: 233.983423707
PHUB002231 Score: 0.824	Benzoic acid-3-sulfate metabolite	C₇H₆O₆S Mono mass: 217.988509087
PHUB001289 Score: 0.788	Protocatechuic acid-3-O-sulfate metabolite	C₇H₆O₇S Mono mass: 233.983423707
PHUB001752 Score: 0.788	4-Hydroxybenzoic acid -3-sulfate metabolite	C₇H₆O₇S Mono mass: 233.983423707
PHUB002902 Score: 0.765	3,5-Dihydroxybenzoic acid sulfate 2169090-42-8 metabolite	C₇H₆O₇S Mono mass: 233.983423707
PHUB002816 Score: 0.765	Protocatechuic acid-disulfate metabolite	C₇H₆O₁₀S₂ Mono mass: 313.940238741
PHUB001373 Score: 0.729	Tyrosol 4-sulfate metabolite	C₈H₁₀O₅S Mono mass: 218.024894596
PHUB001294 Score: 0.722	Vanillic acid-4-O-sulfate metabolite	C₈H₈O₇S Mono mass: 247.999073772
PHUB002288 Score: 0.717	hydroxyphenylacetic acid-3′-sulfate metabolite	C₈H₈O₆S Mono mass: 232.004159152
PHUB001891 Score: 0.713	Chavicol sulfate metabolite	C₉H₁₀O₄S Mono mass: 214.029979976
PHUB001278 Score: 0.709	Isovanillic acid-3-O-sulfate metabolite	C₈H₈O₇S Mono mass: 247.999073772
PHUB001960 Score: 0.705	Tyramine O-sulfate metabolite	C₈H₁₁NO₄S Mono mass: 217.040879012