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Mrv2104 06072104342D

34 37  0  0  1  0            999 V2000
    4.1569   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4425   -1.2374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7280   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0135   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0135   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7280    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4425   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1569    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8714   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5859    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5859    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3003    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8714    1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5846   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1298    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8444   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5846   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8714    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6513   -0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5444   -0.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2555   -1.2194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0682   -0.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3058   -0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4182    0.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1908   -0.9965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7326   -0.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2834    0.8289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4807    0.4376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6568    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
  8 14  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 18 29  1  0  0  0  0
 27 31  1  0  0  0  0
 25 30  1  0  0  0  0
 24 26  1  0  0  0  0
 28 34  1  0  0  0  0
 34 32  2  0  0  0  0
 34 33  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 100 results

PHUB001896 Score: 1.0	3'-Methyl-epicatechin-7-O-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB002148 Score: 1.0	3′-Methoxy-(−)-epicatechin-7-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB001746 Score: 0.99	(-)-Epicatechin-7-O-glucuronide metabolite	C₂₁H₂₂O₁₂ Mono mass: 466.111126148
PHUB002310 Score: 0.99	4′-methoxy-(−)-epicatechin-7-β-D-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB002266 Score: 0.985	3′-Methoxy-(−)-epicatechin-5′-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB001743 Score: 0.975	(-)-Epicatechin-5-O-glucuronide metabolite	C₂₁H₂₂O₁₂ Mono mass: 466.111126148
PHUB001029 Score: 0.966	(-)-Epicatechin 3'-O-glucuronide metabolite	C₂₁H₂₂O₁₂ Mono mass: 466.111126148
PHUB001034 Score: 0.921	(-)-Epicatechin 7-O-glucuronide metabolite	C₂₁H₂₂O₁₂ Mono mass: 466.111126148
PHUB001109 Score: 0.903	Homoeriodictyol-7-glucuronide metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB001031 Score: 0.903	(-)-Epicatechin 4'-O-glucuronide metabolite	C₂₁H₂₂O₁₂ Mono mass: 466.111126148
PHUB001081 Score: 0.894	Eriodictyol-7-glucuronide metabolite	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB001096 Score: 0.891	Hesperetin 5,7-diglucuronide metabolite	C₂₈H₃₀O₁₈ Mono mass: 654.143214126
PHUB002113 Score: 0.882	Hesperetin-5-glucuronide metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB002119 Score: 0.878	Hesperetin-3´,5-diglucuronide metabolite	C₂₈H₃₀O₁₇ Mono mass: 638.148299506
PHUB002822 Score: 0.878	Hesperetin-3’,5,7-tri-glucuronide metabolite	C₃₄H₃₈O₂₃ Mono mass: 814.180387484
PHUB001090 Score: 0.875	Hesperetin-3',7-diglucuronide metabolite	C₂₈H₃₀O₁₈ Mono mass: 654.143214126
PHUB001092 Score: 0.867	Hesperetin-3'-glucuronide metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB001117 Score: 0.857	Naringenin-7-glucuronide metabolite	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB001113 Score: 0.853	Naringenin-4'-glucuronide metabolite	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB002110 Score: 0.85	Naringenin-5,7-diglucuronide metabolite	C₂₇H₂₈O₁₇ Mono mass: 624.132649442
PHUB002111 Score: 0.85	Naringenin-4',5-diglucuronide metabolite	C₂₇H₂₈O₁₆ Mono mass: 608.137734822
PHUB002142 Score: 0.85	Naringenin-5-glucuronide metabolite	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000379 Score: 0.816	Eriodictyol 7-O-glucoside precursor	C₂₁H₂₂O₁₁ Mono mass: 450.116211528
PHUB002491 Score: 0.816	Hesperetin-7-O-glucoside precursor	C₂₂H₂₄O₁₁ Mono mass: 464.131861593
PHUB000377 Score: 0.808	Eriocitrin precursor	C₂₇H₃₂O₁₅ Mono mass: 596.17412033
PHUB000381 Score: 0.808	Hesperidin precursor	C₂₈H₃₄O₁₅ Mono mass: 610.189770395
PHUB000267 Score: 0.808	(+)-Catechin 3-O-glucose precursor	C₂₁H₂₄O₁₁ Mono mass: 452.131861593
PHUB000394 Score: 0.805	Neoeriocitrin precursor	C₂₇H₃₂O₁₅ Mono mass: 596.17412033
PHUB000395 Score: 0.805	Neohesperidin precursor	C₂₈H₃₄O₁₅ Mono mass: 610.189770395
PHUB001761 Score: 0.804	Dihydromyricetin 3-O-rhamnoside precursor	C₂₁H₂₂O₁₂ Mono mass: 466.111126148