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Mrv2104 06072104312D

18 18  0  0  0  0            999 V2000
    1.7860    0.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5007    0.0015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718   -1.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0715    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3569    0.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007    0.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5008    1.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9314   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2172   -0.8247    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8042   -0.1081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6300   -0.1081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  4  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
  7 18  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

PHUB001171 Score: 1.0	Ferulic acid-4'-sulfate metabolite	C₁₀H₁₀O₇S Mono mass: 274.014723836
PHUB001212 Score: 0.95	Isoferulic acid-3'-sulfate metabolite	C₁₀H₁₀O₇S Mono mass: 274.014723836
PHUB002712 Score: 0.95	Ferulic acid-3'-sulfate metabolite	C₁₀H₁₀O₇S Mono mass: 274.014723836
PHUB001918 Score: 0.896	caffeic acid-4-O-sulfate metabolite	C₉H₈O₇S Mono mass: 259.999073772
PHUB001594 Score: 0.858	Caffeic acid 3'-sulfate metabolite	C₉H₈O₇S Mono mass: 259.999073772
PHUB001521 Score: 0.785	Mono-hydroxylated pterostilbene sulfate metabolite	C₁₆H₁₆O₇S Mono mass: 352.061674029
PHUB001410 Score: 0.781	Curcumin sulfate metabolite	C₂₁H₂₀O₉S Mono mass: 448.082803398
PHUB001926 Score: 0.775	m-coumaric acid 3-O-sulfate metabolite	C₉H₈O₆S Mono mass: 244.004159152
PHUB001199 Score: 0.765	Coumaric acid-4'-sulfate metabolite	C₉H₈O₆S Mono mass: 244.004159152
PHUB002909 Score: 0.732	3,5-dihydroxycinnamic sulfate metabolite	C₉H₈O₇S Mono mass: 259.99907376
PHUB001518 Score: 0.725	Mono-demethylated pterostilbene sulfate metabolite	C₁₅H₁₄O₆S Mono mass: 322.051109345
PHUB001515 Score: 0.719	Pterostilbene sulfate metabolite	C₁₆H₁₆O₆S Mono mass: 336.066759409
PHUB001377 Score: 0.707	Vanillin 4-sulfate metabolite	C₈H₈O₆S Mono mass: 232.004159152