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Mrv2104 06072104302D

30 32  0  0  1  0            999 V2000
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  9 24  1  0  0  0  0
 10 17  2  0  0  0  0
 10 24  1  0  0  0  0
 11 26  1  6  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 27  1  1  0  0  0
 12 14  1  0  0  0  0
 12 19  1  0  0  0  0
 13 28  1  1  0  0  0
 13 16  1  0  0  0  0
 13 20  1  0  0  0  0
 14 29  1  6  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 21  2  0  0  0  0
 15 22  1  0  0  0  0
 16 30  1  6  0  0  0
 16 23  1  0  0  0  0
 16 25  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 34 results

PHUB001438 Score: 1.0	4-Methylumbelliferone glucuronide metabolite	C₁₆H₁₆O₉ Mono mass: 352.079432095
PHUB001395 Score: 0.903	Urolithin B-3-glucuronide 823806-74-2 metabolite	C₁₉H₁₆O₉ Mono mass: 388.079432095
PHUB001648 Score: 0.893	Isourolithin A-3-glucuronide metabolite	C₁₉H₁₆O₁₀ Mono mass: 404.074346715
PHUB001392 Score: 0.889	Urolithin A-3-glucuronide metabolite	C₁₉H₁₆O₁₀ Mono mass: 404.074346715
PHUB001393 Score: 0.889	Urolithin A-8-O-glucuronide 1365982-52-0 metabolite	C₁₉H₁₆O₁₀ Mono mass: 404.074346715
PHUB001999 Score: 0.881	Urolithin A-3,8-diglucuronide metabolite	C₂₅H₂₄O₁₆ Mono mass: 580.106434693
PHUB001397 Score: 0.876	Urolithin C-3-glucuronide 1268248-76-5 metabolite	C₁₉H₁₆O₁₁ Mono mass: 420.069261335
PHUB002000 Score: 0.861	Urolithin A-8-glucuronide metabolite	C₁₉H₁₆O₁₀ Mono mass: 404.074346715
PHUB001353 Score: 0.767	Daidzein 7-O-glucuronide metabolite	C₂₁H₁₈O₁₀ Mono mass: 430.08999678
PHUB002130 Score: 0.767	Daidzein-4',7-diglucuronide metabolite	C₂₇H₂₆O₁₆ Mono mass: 606.122084757
PHUB000866 Score: 0.764	Apigenin 7-O-glucuronide metabolite	C₂₁H₁₈O₁₁ Mono mass: 446.0849114
PHUB002978 Score: 0.757	Apigenin 4'-O-glucuronide metabolite	C₂₁H₁₈O₁₁ Mono mass: 446.0849114
PHUB000864 Score: 0.751	Apigenin 7-O-diglucuronide precursor metabolite	C₂₇H₂₆O₁₇ Mono mass: 622.116999377
PHUB001354 Score: 0.749	Daidzein 4'-O-glucuronide metabolite	C₂₁H₁₈O₁₀ Mono mass: 430.08999678
PHUB002986 Score: 0.743	4'-O-methyl-luteolin-7-O-Glucuronide metabolite	C₂₂H₂₀O₁₂ Mono mass: 476.095476084
PHUB001359 Score: 0.74	Biochanin A-7-O-glucuronide metabolite	C₂₂H₂₀O₁₁ Mono mass: 460.100561464
PHUB001367 Score: 0.74	Genistein 7-O-glucuronide metabolite	C₂₁H₁₈O₁₁ Mono mass: 446.0849114
PHUB002125 Score: 0.74	Genistein 4',7-diglucuronide metabolite	C₂₇H₂₆O₁₇ Mono mass: 622.116999377
PHUB000897 Score: 0.739	Luteolin 7-O-glucuronide precursor metabolite	C₂₁H₁₈O₁₂ Mono mass: 462.07982602
PHUB000247 Score: 0.737	Scopolin precursor	C₁₆H₁₈O₉ Mono mass: 354.09508216
PHUB002984 Score: 0.737	3'-O-methyl-luteolin-7-O-Glucuronide metabolite	C₂₂H₂₀O₁₂ Mono mass: 476.095476084
PHUB002127 Score: 0.733	Genistein 4'-O-glucuronide metabolite	C₂₁H₁₈O₁₁ Mono mass: 446.0849114
PHUB002993 Score: 0.731	Scutellarin metabolite	C₂₁H₁₈O₁₂ Mono mass: 462.07982602
PHUB000240 Score: 0.728	Esculin precursor	C₁₅H₁₆O₉ Mono mass: 340.079432095
PHUB002982 Score: 0.72	Luteolin-4-glucuronide metabolite	C₂₁H₁₈O₁₂ Mono mass: 462.07982602
PHUB002569 Score: 0.715	Chamaemeloside precursor	C₂₇H₂₈O₁₄ Mono mass: 576.147905582
PHUB001144 Score: 0.715	Quercetin 7-O-glucuronide 38934-20-2 metabolite	C₂₁H₁₈O₁₃ Mono mass: 478.07474064
PHUB001428 Score: 0.715	Myricetin 7-O-glucuronide metabolite	C₂₁H₁₈O₁₄ Mono mass: 494.06965526
PHUB002131 Score: 0.714	Daidzein-7-glucuronide-4'-sulfate metabolite	C₂₁H₁₈O₁₃S Mono mass: 510.046811814
PHUB000895 Score: 0.713	Luteolin 7-O-diglucuronide precursor	C₂₇H₂₆O₁₈ Mono mass: 638.111913997