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Mrv2104 06072104302D

24 25  0  0  0  0            999 V2000
   22.5640  -13.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5640  -14.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8496  -14.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1351  -14.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1351  -13.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8496  -12.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8496  -12.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1351  -11.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1351  -10.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4206   -9.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4206  -10.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8496  -10.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8496   -9.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1351   -9.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7062   -9.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2785  -14.5688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4206  -14.5688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4206  -15.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2785  -15.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1351   -8.3812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1260   -7.6069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   22.0548   -7.6175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1244   -6.8025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2871   -7.5820    0.0000 O   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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 10 14  2  0  0  0  0
 11  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
  2 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  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 — 16 of approximately 16 results

PHUB001521 Score: 1.0	Mono-hydroxylated pterostilbene sulfate metabolite	C₁₆H₁₆O₇S Mono mass: 352.061674029
PHUB001515 Score: 0.921	Pterostilbene sulfate metabolite	C₁₆H₁₆O₆S Mono mass: 336.066759409
PHUB001518 Score: 0.911	Mono-demethylated pterostilbene sulfate metabolite	C₁₅H₁₄O₆S Mono mass: 322.051109345
PHUB001494 Score: 0.829	5-methoxyresveratrol-3-O-sulfate metabolite	C₁₅H₁₄O₆S Mono mass: 322.051109345
PHUB001484 Score: 0.822	resveratrol-4′-O-sulfate metabolite	C₁₄H₁₂O₆S Mono mass: 308.03545928
PHUB001503 Score: 0.822	cis-Resveratrol-4'-sulfate metabolite	C₁₄H₁₂O₆S Mono mass: 308.03545928
PHUB001544 Score: 0.822	trans-resveratrol-4'-O-β-sulfate metabolite	C₁₄H₁₂O₆S Mono mass: 308.03545928
PHUB001171 Score: 0.785	Ferulic acid-4'-sulfate metabolite	C₁₀H₁₀O₇S Mono mass: 274.014723836
PHUB001918 Score: 0.759	caffeic acid-4-O-sulfate metabolite	C₉H₈O₇S Mono mass: 259.999073772
PHUB001412 Score: 0.755	trans-Resveratrol 3-O-sulfate metabolite	C₁₄H₁₂O₆S Mono mass: 308.03545928
PHUB001486 Score: 0.755	trans-Resveratrol-3,5-disulfate metabolite	C₁₄H₁₂O₉S₂ Mono mass: 387.992274314
PHUB001487 Score: 0.755	trans-Resveratrol-3,4′-disulfate metabolite	C₁₄H₁₂O₉S₂ Mono mass: 387.992274314
PHUB001488 Score: 0.755	trans-Resveratrol-3,4′,5-trisulfate metabolite	C₁₄H₁₂O₁₂S₃ Mono mass: 467.949089348
PHUB001502 Score: 0.755	cis-Resveratrol-3-sulfate metabolite	C₁₄H₁₂O₆S Mono mass: 308.03545928
PHUB001212 Score: 0.746	Isoferulic acid-3'-sulfate metabolite	C₁₀H₁₀O₇S Mono mass: 274.014723836
PHUB002712 Score: 0.746	Ferulic acid-3'-sulfate metabolite	C₁₀H₁₀O₇S Mono mass: 274.014723836
PHUB001594 Score: 0.727	Caffeic acid 3'-sulfate metabolite	C₉H₈O₇S Mono mass: 259.999073772
PHUB001377 Score: 0.704	Vanillin 4-sulfate metabolite	C₈H₈O₆S Mono mass: 232.004159152