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Mrv2104 03222309522D

37 40  0  0  1  0            999 V2000
    2.4963    0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5107   -0.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8035   -0.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0819   -0.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0676    0.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7747    0.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3749   -0.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3893   -1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3176   -2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3032   -2.9325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0390   -1.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7459   -2.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4675   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4819   -0.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7747   -0.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0532   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3464   -0.4582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7315   -2.9574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2034   -0.5079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034    0.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7603    1.6412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0387    2.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0387    2.8663    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3242    3.2789    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3902    2.8663    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3903    2.0412    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3242    1.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1047    1.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3241    4.1040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1046    3.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7533    3.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8192    2.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1048    0.8036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9107   -0.9327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6323   -0.5327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8964   -1.7577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1891   -1.3328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 17  1  0  0  0  0
 12 18  1  0  0  0  0
  1 20  1  0  0  0  0
 21  6  1  0  0  0  0
 14 19  1  0  0  0  0
 21 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 23  1  0  0  0  0
 26 28  1  1  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 23 31  1  6  0  0  0
 24 29  1  1  0  0  0
 25 30  1  6  0  0  0
 28 32  1  0  0  0  0
 28 33  2  0  0  0  0
 19 34  1  0  0  0  0
 34 37  2  0  0  0  0
 34 36  1  0  0  0  0
 34 35  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 75 results

PHUB002826 Score: 1.0	Hesperetin-3’-glucuronide-7-sulfate metabolite	C₂₂H₂₂O₁₄S Mono mass: 542.073026562
PHUB002837 Score: 0.991	Hesperetin-7-sulfate-3’,5-diglucuronide metabolite	C₂₈H₃₀O₂₀S Mono mass: 718.10511454
PHUB002832 Score: 0.979	Hesperetin-5-glucuronide-7-sulfate metabolite	C₂₂H₂₂O₁₄S Mono mass: 542.073026562
PHUB002824 Score: 0.963	Hesperetin-3’-glucuronide-5,7-di-sulfate metabolite	C₂₂H₂₂O₁₇S₂ Mono mass: 622.029841596
PHUB002825 Score: 0.963	Hesperetin-3’-glucuronide-5-sulfate metabolite	C₂₂H₂₂O₁₄S Mono mass: 542.073026562
PHUB002833 Score: 0.959	Hesperetin-5-sulfate-3’,7-diglucuronide metabolite	C₂₈H₃₀O₂₀S Mono mass: 718.10511454
PHUB002830 Score: 0.946	Hesperetin-5-glucuronide-3’,7-di-sulfate metabolite	C₂₂H₂₂O₁₇S₂ Mono mass: 622.029841596
PHUB002827 Score: 0.938	Hesperetin-3’-sulfate-5,7-diglucuronide metabolite	C₂₈H₃₀O₂₀S Mono mass: 718.10511454
PHUB002831 Score: 0.938	Hesperetin-5-glucuronide-3’-sulfate metabolite	C₂₂H₂₂O₁₄S Mono mass: 542.073026562
PHUB002836 Score: 0.938	Hesperetin-7-glucuronide-5-sulfate metabolite	C₂₂H₂₂O₁₄S Mono mass: 542.073026562
PHUB002835 Score: 0.933	Hesperetin-7-glucuronide-3’-sulfate metabolite	C₂₂H₂₂O₁₄S Mono mass: 542.073026562
PHUB002834 Score: 0.93	Hesperetin-7-glucuronide-3’,5-di-sulfate metabolite	C₂₂H₂₂O₁₇S₂ Mono mass: 622.029841596
PHUB002119 Score: 0.91	Hesperetin-3´,5-diglucuronide metabolite	C₂₈H₃₀O₁₇ Mono mass: 638.148299506
PHUB002822 Score: 0.91	Hesperetin-3’,5,7-tri-glucuronide metabolite	C₃₄H₃₈O₂₃ Mono mass: 814.180387484
PHUB001096 Score: 0.898	Hesperetin 5,7-diglucuronide metabolite	C₂₈H₃₀O₁₈ Mono mass: 654.143214126
PHUB001109 Score: 0.893	Homoeriodictyol-7-glucuronide metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB001092 Score: 0.891	Hesperetin-3'-glucuronide metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB002113 Score: 0.889	Hesperetin-5-glucuronide metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB001108 Score: 0.887	Homoeriodictyol-4'-glucuronide metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB001081 Score: 0.885	Eriodictyol-7-glucuronide metabolite	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB001098 Score: 0.885	Hesperetin-7-glucuronide metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB001090 Score: 0.883	Hesperetin-3',7-diglucuronide metabolite	C₂₈H₃₀O₁₈ Mono mass: 654.143214126
PHUB002110 Score: 0.876	Naringenin-5,7-diglucuronide metabolite	C₂₇H₂₈O₁₇ Mono mass: 624.132649442
PHUB002111 Score: 0.876	Naringenin-4',5-diglucuronide metabolite	C₂₇H₂₈O₁₆ Mono mass: 608.137734822
PHUB002142 Score: 0.876	Naringenin-5-glucuronide metabolite	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB001113 Score: 0.87	Naringenin-4'-glucuronide metabolite	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB001117 Score: 0.866	Naringenin-7-glucuronide metabolite	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB002109 Score: 0.866	Naringenin-4´,7-diglucuronide metabolite	C₂₇H₂₈O₁₇ Mono mass: 624.132649442
PHUB002490 Score: 0.853	Hesperetin-O-glucosyl-sulfate metabolite	C₃₄H₄₄O₂₃S Mono mass: 852.199408851
PHUB002266 Score: 0.82	3′-Methoxy-(−)-epicatechin-5′-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213