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Mrv2104 06072104292D

16 16  0  0  0  0            999 V2000
    1.0718    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5008    1.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5007    1.8564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7880   -0.6186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0737   -0.2058    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6607    0.5106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4866    0.5106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.6186    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
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
  2 10  1  0  0  0  0
  6  1  2  0  0  0  0
  6  5  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
  3 16  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 — 15 of approximately 15 results

PHUB001294 Score: 1.0	Vanillic acid-4-O-sulfate metabolite	C₈H₈O₇S Mono mass: 247.999073772
PHUB002464 Score: 0.956	Syringic acid-4-sulfate metabolite	C₉H₁₀O₈S Mono mass: 278.009638456
PHUB001278 Score: 0.929	Isovanillic acid-3-O-sulfate metabolite	C₈H₈O₇S Mono mass: 247.999073772
PHUB001873 Score: 0.891	4-O-Methylgallic acid 3-O-sulfate metabolite	C₈H₈O₈S Mono mass: 263.993988392
PHUB001377 Score: 0.88	Vanillin 4-sulfate metabolite	C₈H₈O₆S Mono mass: 232.004159152
PHUB001291 Score: 0.87	Protocatechuic acid-4-O-sulfate metabolite	C₇H₆O₇S Mono mass: 233.983423707
PHUB001289 Score: 0.832	Protocatechuic acid-3-O-sulfate metabolite	C₇H₆O₇S Mono mass: 233.983423707
PHUB001752 Score: 0.832	4-Hydroxybenzoic acid -3-sulfate metabolite	C₇H₆O₇S Mono mass: 233.983423707
PHUB002816 Score: 0.81	Protocatechuic acid-disulfate metabolite	C₇H₆O₁₀S₂ Mono mass: 313.940238741
PHUB002231 Score: 0.735	Benzoic acid-3-sulfate metabolite	C₇H₆O₆S Mono mass: 217.988509087
PHUB001583 Score: 0.722	Benzoic acid-4-O-sulfate metabolite	C₇H₆O₆S Mono mass: 217.988509087
PHUB001375 Score: 0.714	Homovanillic acid sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002228 Score: 0.714	3′-Methoxyphenylacetic acid-4′-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002807 Score: 0.714	3’-methoxyphenyl acetic acid -4’-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB001436 Score: 0.713	Dihydroferulic acid-4'-sulfate metabolite	C₁₀H₁₂O₇S Mono mass: 276.0303739
PHUB001888 Score: 0.711	Eugenol sulfate metabolite	C₁₀H₁₂O₅S Mono mass: 244.04054466
PHUB002902 Score: 0.706	3,5-Dihydroxybenzoic acid sulfate 2169090-42-8 metabolite	C₇H₆O₇S Mono mass: 233.983423707
PHUB001958 Score: 0.705	3-Methoxytyramine sulfate metabolite	C₉H₁₃NO₅S Mono mass: 247.051443697