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Mrv2104 12212309372D

20 21  0  0  1  0            999 V2000
   22.3942   -4.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5681   -4.6746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0868   -5.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2667   -5.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7793   -5.9228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1121   -6.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9382   -6.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4195   -6.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2456   -6.1842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5784   -6.9388    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   23.3333   -6.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9172   -7.6936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8237   -7.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9591   -5.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4718   -6.5051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.6458   -6.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3902   -7.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0559   -7.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0559   -8.6030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7274   -7.2895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 14  1  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
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  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 — 29 of approximately 29 results

PHUB001996 Score: 1.0	5-(3'-methoxyphenyl)-γ-valerolactone-4'-sulfate metabolite	C₁₂H₁₄O₇S Mono mass: 302.046023965
PHUB002216 Score: 1.0	5-(Phenyl)-γ-valerolactone-3'-methoxy-4'-sulfate metabolite	C₁₂H₁₄O₇S Mono mass: 302.046023965
PHUB002187 Score: 0.953	5-(Phenyl)-γ-valerolactone-4′-methoxy-3′-sulfate metabolite	C₁₂H₁₄O₇S Mono mass: 302.046023965
PHUB002788 Score: 0.953	5-(4'-Methoxyphenyl)-γ-valerolactone-3'-sulfate metabolite	C₁₂H₁₄O₇S Mono mass: 302.046023965
PHUB002218 Score: 0.904	5-(3′,5′-Dihydroxyphenyl)-γ-valerolactone-4′-sulfate metabolite	C₁₁H₁₂O₈S Mono mass: 304.02528852
PHUB001755 Score: 0.892	5-(4'-hydroxyphenyl)-gamma-valerolactone-3'-sulfate metabolite	C₁₁H₁₂O₇S Mono mass: 288.0303739
PHUB001995 Score: 0.892	5-(3'-hydroxyphenyl)-γ-valerolactone-4'-sulfate metabolite	C₁₁H₁₂O₇S Mono mass: 288.0303739
PHUB001997 Score: 0.892	5-(4'-hydroxyphenyl)-γ-valerolactone-3'-sulfate metabolite	C₁₁H₁₂O₇S Mono mass: 288.0303739
PHUB001988 Score: 0.882	4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-sulfate metabolite	C₁₂H₁₆O₈S Mono mass: 320.056588649
PHUB002162 Score: 0.874	5-(Phenyl)-γ-valerolactone-4',5'-disulfate metabolite	C₁₁H₁₂O₁₀S₂ Mono mass: 367.987188934
PHUB002199 Score: 0.863	5-(4′,5′-Dihydroxyphenyl)-γ-valerolactone 3′-sulfate metabolite	C₁₁H₁₂O₈S Mono mass: 304.02528852
PHUB002775 Score: 0.839	4-Hydroxy-5-(4'-methoxyphenyl)valeric acid-3'-sulfate metabolite	C₁₂H₁₆O₈S Mono mass: 320.056588649
PHUB001751 Score: 0.831	5-(Phenyl)-gamma-valerolactone-3'-sulfate metabolite	C₁₁H₁₂O₆S Mono mass: 272.03545928
PHUB002161 Score: 0.804	5-(Phenyl)-γ-valerolactone-3′,5′-disulfate metabolite	C₁₁H₁₂O₁₀S₂ Mono mass: 367.987188934
PHUB002185 Score: 0.804	5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-sulfate metabolite	C₁₁H₁₂O₇S Mono mass: 288.0303739
PHUB002782 Score: 0.799	4-Hydroxy-5-(3'-hydroxyphenyl)valeric acid-4'-sulfate metabolite	C₁₁H₁₄O₈S Mono mass: 306.040938585
PHUB001989 Score: 0.772	4-hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-sulfate metabolite	C₁₁H₁₄O₈S Mono mass: 306.040938585
PHUB002145 Score: 0.769	5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-methoxy metabolite	C₁₂H₁₄O₄ Mono mass: 222.089208931
PHUB002776 Score: 0.769	5-(4'-Hydroxy-3'-methoxyphenyl)-γ-valerolactone metabolite	C₁₂H₁₄O₄ Mono mass: 222.089208931
PHUB002784 Score: 0.757	4-Hydroxy-5-(Phenyl)valeric acid-3',4'-disulfate metabolite	C₁₁H₁₄O₁₁S₂ Mono mass: 385.997753619
PHUB002778 Score: 0.755	5-(3'- Hydroxy-4'-methoxyphenyl)-γ-valerolactone metabolite	C₁₂H₁₄O₄ Mono mass: 222.089208931
PHUB002796 Score: 0.747	hexahydrocurcumin sulfate metabolite	C₂₁H₂₆O₉S Mono mass: 454.129753591
PHUB002768 Score: 0.745	3-Methoxyphenyllactic acid-4-sulfate metabolite	C₁₀H₁₂O₈S Mono mass: 292.02528852
PHUB002797 Score: 0.727	Octahydrocurcumin sulfate metabolite	C₂₁H₂₈O₉S Mono mass: 456.145403656
PHUB002785 Score: 0.72	5-(3'-Hydroxyphenyl)valeric acid-4'-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB001436 Score: 0.718	Dihydroferulic acid-4'-sulfate metabolite	C₁₀H₁₂O₇S Mono mass: 276.0303739
PHUB001060 Score: 0.713	5-(3',4'-dihydroxyphenyl)-gamma-valerolactone 21618-92-8 metabolite	C₁₁H₁₂O₄ Mono mass: 208.073558866
PHUB001993 Score: 0.713	5-(3',4'-dihydroxyphenyl)-γ-valerolactone 21618-92-8 / 1108192-01-3 / 191666-22-5 metabolite	C₁₁H₁₂O₄ Mono mass: 208.073558866
PHUB001750 Score: 0.711	5-(Phenyl)-gamma-hydroxyvaleric acid-3'-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB002220 Score: 0.711	4-Hydroxy-5-(phenyl)valeric acid-3'-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB002769 Score: 0.709	4-Methoxyphenyllactic acid-3-sulfate metabolite	C₁₀H₁₂O₈S Mono mass: 292.02528852
PHUB002221 Score: 0.701	4-Hydroxy-5-(phenyl)valeric acid-4'-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965