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  Mrv2104 06072104352D

20 20  0  0  1  0            999 V2000
    6.4968   -3.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2077   -4.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9258   -3.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9258   -3.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2077   -2.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4968   -3.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7787   -2.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0679   -3.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3497   -2.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6389   -3.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9209   -2.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2101   -3.0655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9209   -1.8325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0679   -3.8924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6366   -2.6593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6366   -1.8325    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6366   -1.0055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4635   -1.8325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8169   -1.8325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6366   -4.3059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  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 — 30 of approximately 37 results

PHUB001989 Score: 1.0	4-hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-sulfate metabolite	C₁₁H₁₄O₈S Mono mass: 306.040938585
PHUB002784 Score: 0.976	4-Hydroxy-5-(Phenyl)valeric acid-3',4'-disulfate metabolite	C₁₁H₁₄O₁₁S₂ Mono mass: 385.997753619
PHUB002782 Score: 0.959	4-Hydroxy-5-(3'-hydroxyphenyl)valeric acid-4'-sulfate metabolite	C₁₁H₁₄O₈S Mono mass: 306.040938585
PHUB001750 Score: 0.926	5-(Phenyl)-gamma-hydroxyvaleric acid-3'-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB002220 Score: 0.926	4-Hydroxy-5-(phenyl)valeric acid-3'-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB002775 Score: 0.924	4-Hydroxy-5-(4'-methoxyphenyl)valeric acid-3'-sulfate metabolite	C₁₂H₁₆O₈S Mono mass: 320.056588649
PHUB002263 Score: 0.893	5-(4′-Hydroxyphenyl)-valeric acid-3′-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB002786 Score: 0.893	5-(4'-Hydroxyphenyl)valeric acid-3'-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB001988 Score: 0.872	4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-sulfate metabolite	C₁₂H₁₆O₈S Mono mass: 320.056588649
PHUB001755 Score: 0.87	5-(4'-hydroxyphenyl)-gamma-valerolactone-3'-sulfate metabolite	C₁₁H₁₂O₇S Mono mass: 288.0303739
PHUB001995 Score: 0.87	5-(3'-hydroxyphenyl)-γ-valerolactone-4'-sulfate metabolite	C₁₁H₁₂O₇S Mono mass: 288.0303739
PHUB001997 Score: 0.87	5-(4'-hydroxyphenyl)-γ-valerolactone-3'-sulfate metabolite	C₁₁H₁₂O₇S Mono mass: 288.0303739
PHUB002785 Score: 0.851	5-(3'-Hydroxyphenyl)valeric acid-4'-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB002162 Score: 0.851	5-(Phenyl)-γ-valerolactone-4',5'-disulfate metabolite	C₁₁H₁₂O₁₀S₂ Mono mass: 367.987188934
PHUB002221 Score: 0.843	4-Hydroxy-5-(phenyl)valeric acid-4'-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB002199 Score: 0.839	5-(4′,5′-Dihydroxyphenyl)-γ-valerolactone 3′-sulfate metabolite	C₁₁H₁₂O₈S Mono mass: 304.02528852
PHUB002264 Score: 0.818	5-(Phenyl)valeric acid-3′-sulfate metabolite	C₁₁H₁₄O₆S Mono mass: 274.051109345
PHUB002789 Score: 0.818	5-(Phenyl)valeric acid 3'-sulfate metabolite	C₁₁H₁₄O₆S Mono mass: 274.051109345
PHUB002187 Score: 0.816	5-(Phenyl)-γ-valerolactone-4′-methoxy-3′-sulfate metabolite	C₁₂H₁₄O₇S Mono mass: 302.046023965
PHUB002788 Score: 0.816	5-(4'-Methoxyphenyl)-γ-valerolactone-3'-sulfate metabolite	C₁₂H₁₄O₇S Mono mass: 302.046023965
PHUB002218 Score: 0.816	5-(3′,5′-Dihydroxyphenyl)-γ-valerolactone-4′-sulfate metabolite	C₁₁H₁₂O₈S Mono mass: 304.02528852
PHUB002771 Score: 0.805	4-Hydroxyphenyllactic acid-3-sulfate metabolite	C₉H₁₀O₈S Mono mass: 278.009638456
PHUB001751 Score: 0.804	5-(Phenyl)-gamma-valerolactone-3'-sulfate metabolite	C₁₁H₁₂O₆S Mono mass: 272.03545928
PHUB002910 Score: 0.802	5-(3,5-dihydroxyphenyl)pentanoic sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB002161 Score: 0.776	5-(Phenyl)-γ-valerolactone-3′,5′-disulfate metabolite	C₁₁H₁₂O₁₀S₂ Mono mass: 367.987188934
PHUB002185 Score: 0.776	5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-sulfate metabolite	C₁₁H₁₂O₇S Mono mass: 288.0303739
PHUB001588 Score: 0.773	Dihydrocaffeic acid-3-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB001753 Score: 0.773	3-(4'-Hydroxyphenyl)propionic acid-3'-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB001996 Score: 0.772	5-(3'-methoxyphenyl)-γ-valerolactone-4'-sulfate metabolite	C₁₂H₁₄O₇S Mono mass: 302.046023965
PHUB002216 Score: 0.772	5-(Phenyl)-γ-valerolactone-3'-methoxy-4'-sulfate metabolite	C₁₂H₁₄O₇S Mono mass: 302.046023965
PHUB002770 Score: 0.767	3-Hydroxyphenyllactic acid-4-sulfate metabolite	C₉H₁₀O₈S Mono mass: 278.009638456
PHUB002769 Score: 0.759	4-Methoxyphenyllactic acid-3-sulfate metabolite	C₁₀H₁₂O₈S Mono mass: 292.02528852
PHUB002808 Score: 0.748	4’-hydroxyphenylacetic acid-3’-sulfate metabolite	C₈H₈O₇S Mono mass: 247.999073772
PHUB002790 Score: 0.746	5-(Phenyl)-γ-valerolactone-3',4'-disulfate metabolite	C₁₂H₁₄O₉S₂ Mono mass: 366.007924379
PHUB002387 Score: 0.736	Hydroxytyrosol 3'-sulfate metabolite	C₈H₁₀O₆S Mono mass: 234.019809216
PHUB001206 Score: 0.734	Dihydrocaffeic acid-4'-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836