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Mrv2104 06072104292D

15 15  0  0  0  0            999 V2000
    2.2688    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5543    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5543    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2688    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9832    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9832    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2688    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5543    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6977    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4122    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2688    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5543    0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9668    0.1473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345    1.5027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8398    0.4125    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
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 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 — 18 of approximately 18 results

PHUB001377 Score: 1.0	Vanillin 4-sulfate metabolite	C₈H₈O₆S Mono mass: 232.004159152
PHUB001294 Score: 0.88	Vanillic acid-4-O-sulfate metabolite	C₈H₈O₇S Mono mass: 247.999073772
PHUB002464 Score: 0.841	Syringic acid-4-sulfate metabolite	C₉H₁₀O₈S Mono mass: 278.009638456
PHUB001278 Score: 0.83	Isovanillic acid-3-O-sulfate metabolite	C₈H₈O₇S Mono mass: 247.999073772
PHUB001873 Score: 0.797	4-O-Methylgallic acid 3-O-sulfate metabolite	C₈H₈O₈S Mono mass: 263.993988392
PHUB001888 Score: 0.78	Eugenol sulfate metabolite	C₁₀H₁₂O₅S Mono mass: 244.04054466
PHUB001958 Score: 0.773	3-Methoxytyramine sulfate metabolite	C₉H₁₃NO₅S Mono mass: 247.051443697
PHUB001291 Score: 0.766	Protocatechuic acid-4-O-sulfate metabolite	C₇H₆O₇S Mono mass: 233.983423707
PHUB001375 Score: 0.765	Homovanillic acid sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002228 Score: 0.765	3′-Methoxyphenylacetic acid-4′-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002807 Score: 0.765	3’-methoxyphenyl acetic acid -4’-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB001436 Score: 0.733	Dihydroferulic acid-4'-sulfate metabolite	C₁₀H₁₂O₇S Mono mass: 276.0303739
PHUB001289 Score: 0.732	Protocatechuic acid-3-O-sulfate metabolite	C₇H₆O₇S Mono mass: 233.983423707
PHUB001752 Score: 0.732	4-Hydroxybenzoic acid -3-sulfate metabolite	C₇H₆O₇S Mono mass: 233.983423707
PHUB002229 Score: 0.731	4′-Methoxyphenylacetic acid-3′-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002815 Score: 0.731	4’-hydroxyphenyl-acetic acid-3’-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002816 Score: 0.713	Protocatechuic acid-disulfate metabolite	C₇H₆O₁₀S₂ Mono mass: 313.940238741
PHUB001171 Score: 0.707	Ferulic acid-4'-sulfate metabolite	C₁₀H₁₀O₇S Mono mass: 274.014723836
PHUB002194 Score: 0.705	2-methoxy-benzene-1-sulfate metabolite	C₇H₈O₅S Mono mass: 204.009244532
PHUB002488 Score: 0.705	Guaiacol sulfate metabolite	C₇H₈O₅S Mono mass: 204.009244532
PHUB002388 Score: 0.705	Hydroxytyrosol 4'-sulfate 425408-51-1 metabolite	C₈H₁₀O₆S Mono mass: 234.019809216
PHUB001521 Score: 0.704	Mono-hydroxylated pterostilbene sulfate metabolite	C₁₆H₁₆O₇S Mono mass: 352.061674029
PHUB001592 Score: 0.702	Dihydroisoferulic acid-3'-O-sulfate metabolite	C₁₀H₁₂O₇S Mono mass: 276.0303739