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Mrv2104 10222109292D

32 35  0  0  0  0            999 V2000
    0.4959    2.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2185    1.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2185    0.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4959    0.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    0.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    1.5892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9248    2.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6391    1.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3538    2.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3539    2.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6394    3.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9248    2.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0684    3.2392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4959   -0.4731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9331    2.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6475    1.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6476    0.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9331    0.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9331   -0.4731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6476   -0.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4545   -1.0570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7095   -1.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1574   -2.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3505   -2.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0956   -1.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3619    2.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2886   -1.3270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7985   -2.8964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4122   -3.2393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5164   -2.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0684   -1.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7713   -2.7980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  7  8  2  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
  4 14  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
  2 15  1  0  0  0  0
 18  3  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  0  0  0  0
 16 26  1  0  0  0  0
 22 30  1  0  0  0  0
 25 27  1  0  0  0  0
 24 28  1  0  0  0  0
 23 29  1  0  0  0  0
 21 22  1  0  0  0  0
 20 21  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  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 — 30 of approximately 85 results

PHUB002110 Score: 1.0	Naringenin-5,7-diglucuronide metabolite	C₂₇H₂₈O₁₇ Mono mass: 624.132649442
PHUB002111 Score: 1.0	Naringenin-4',5-diglucuronide metabolite	C₂₇H₂₈O₁₆ Mono mass: 608.137734822
PHUB002142 Score: 1.0	Naringenin-5-glucuronide metabolite	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB001117 Score: 0.981	Naringenin-7-glucuronide metabolite	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB002109 Score: 0.981	Naringenin-4´,7-diglucuronide metabolite	C₂₇H₂₈O₁₇ Mono mass: 624.132649442
PHUB001113 Score: 0.976	Naringenin-4'-glucuronide metabolite	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB002113 Score: 0.967	Hesperetin-5-glucuronide metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB002119 Score: 0.963	Hesperetin-3´,5-diglucuronide metabolite	C₂₈H₃₀O₁₇ Mono mass: 638.148299506
PHUB002822 Score: 0.963	Hesperetin-3’,5,7-tri-glucuronide metabolite	C₃₄H₃₈O₂₃ Mono mass: 814.180387484
PHUB001096 Score: 0.958	Hesperetin 5,7-diglucuronide metabolite	C₂₈H₃₀O₁₈ Mono mass: 654.143214126
PHUB001081 Score: 0.953	Eriodictyol-7-glucuronide metabolite	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB001098 Score: 0.953	Hesperetin-7-glucuronide metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB001109 Score: 0.944	Homoeriodictyol-7-glucuronide metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB001905 Score: 0.917	Scorzocreticoside I 393510-25-3 precursor	C₂₈H₃₆O₁₅ Mono mass: 612.205420459
PHUB001090 Score: 0.914	Hesperetin-3',7-diglucuronide metabolite	C₂₈H₃₀O₁₈ Mono mass: 654.143214126
PHUB001108 Score: 0.91	Homoeriodictyol-4'-glucuronide metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB001092 Score: 0.906	Hesperetin-3'-glucuronide metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000383 Score: 0.898	Isosakuranin precursor	C₂₂H₂₄O₁₀ Mono mass: 448.136946973
PHUB000388 Score: 0.898	Prunin precursor	C₂₁H₂₂O₁₀ Mono mass: 434.121296908
PHUB001595 Score: 0.898	Naringenin-7-glucoside 529-55-5 precursor	C₂₁H₂₂O₁₀ Mono mass: 434.121296908
PHUB002832 Score: 0.896	Hesperetin-5-glucuronide-7-sulfate metabolite	C₂₂H₂₂O₁₄S Mono mass: 542.073026562
PHUB000376 Score: 0.889	Didymin precursor	C₂₈H₃₄O₁₄ Mono mass: 594.194855775
PHUB000392 Score: 0.889	Narirutin 14259-46-2 precursor	C₂₇H₃₂O₁₄ Mono mass: 580.17920571
PHUB000393 Score: 0.889	Narirutin 4'-O-glucoside precursor	C₃₃H₄₂O₁₉ Mono mass: 742.232029132
PHUB000390 Score: 0.888	Naringenin 4'-O-glucoside precursor	C₂₁H₂₂O₁₀ Mono mass: 434.121296908
PHUB000389 Score: 0.885	Naringin precursor	C₂₇H₃₂O₁₄ Mono mass: 580.17920571
PHUB000397 Score: 0.885	Poncirin precursor	C₂₈H₃₄O₁₄ Mono mass: 594.194855775
PHUB002837 Score: 0.884	Hesperetin-7-sulfate-3’,5-diglucuronide metabolite	C₂₈H₃₀O₂₀S Mono mass: 718.10511454
PHUB000385 Score: 0.883	Liquiritin precursor	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB001345 Score: 0.883	Phloretin-2'-glucuronide metabolite	C₂₁H₂₂O₁₁ Mono mass: 450.116211528