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Quercetin 3-O-glucuronide
  Mrv2104 06072104252D

34 37  0  0  0  0            999 V2000
    2.8827   -1.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7392   -0.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1682   -3.3304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7392   -2.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0248   -2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5971   -0.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5971   -0.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3116   -1.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0260   -0.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7405    0.3821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1682   -4.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4537   -4.5679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1682   -5.8054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7406   -1.2679    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
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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 19  1  0  0  0  0
 13 14  1  0  0  0  0
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 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 12 10  1  0  0  0  0
  3 20  2  0  0  0  0
  4 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22  8  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
  1 27  1  0  0  0  0
 24 30  1  0  0  0  0
 14 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 29 34  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 15  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
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 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

PHUB000712 Score: 1.0	Quercetin 3-O-glucuronide 22688-79-5 precursor metabolite	C₂₁H₁₈O₁₃ Mono mass: 478.07474064
PHUB000666 Score: 0.988	Isorhamnetin 3-O-glucuronide 36687-76-0 metabolite	C₂₂H₂₀O₁₃ Mono mass: 492.090390704
PHUB000683 Score: 0.98	Kaempferol 3-O-glucuronide precursor metabolite	C₂₁H₁₈O₁₂ Mono mass: 462.07982602
PHUB000717 Score: 0.958	Quercetin 3-O-xylosyl-glucuronide precursor	C₂₆H₂₆O₁₇ Mono mass: 610.116999377
PHUB000660 Score: 0.92	Quercetin 3-O-galactoside precursor metabolite	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000661 Score: 0.92	Isoquercitrin 482-35-9 precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000696 Score: 0.92	Myricetin 3-O-galactoside precursor	C₂₁H₂₀O₁₃ Mono mass: 480.090390704
PHUB000699 Score: 0.92	Myricitrin precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000720 Score: 0.92	Quercitrin precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000704 Score: 0.916	Quercetin 3-O-(6''-malonyl-glucoside) precursor	C₂₄H₂₂O₁₅ Mono mass: 550.095870008
PHUB000698 Score: 0.913	Myricetin 3-O-rutinoside precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000709 Score: 0.913	Quercetin 3-O-glucosyl-rhamnosyl-galactoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000710 Score: 0.913	Quercetin 3-O-glucosyl-rhamnosyl-glucoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000711 Score: 0.913	Quercetin 3-O-glucosyl-xyloside precursor	C₂₆H₂₈O₁₆ Mono mass: 596.137734822
PHUB000714 Score: 0.913	Quercetin 3-O-rhamnosyl-rhamnosyl-glucoside precursor	C₃₃H₄₀O₂₀ Mono mass: 756.211293688
PHUB000722 Score: 0.913	Rutin precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000670 Score: 0.912	Jaceidin 4'-O-glucuronide precursor	C₂₄H₂₄O₁₄ Mono mass: 536.116605453
PHUB000663 Score: 0.909	Isorhamnetin 3-O-galactoside precursor	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000664 Score: 0.909	Isorhamnetin 3-O-glucoside precursor	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000703 Score: 0.909	Quercetin 3,4'-O-diglucoside 29125-80-2 precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000695 Score: 0.908	Myricetin 3-O-arabinoside precursor	C₂₀H₁₈O₁₂ Mono mass: 450.07982602
PHUB000707 Score: 0.908	Quercetin 3-O-acetyl-rhamnoside precursor	C₂₃H₂₂O₁₂ Mono mass: 490.111126148
PHUB000708 Score: 0.906	Quercetin 3-O-galactoside 7-O-rhamnoside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000713 Score: 0.906	Quercetin 3-O-rhamnosyl-galactoside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000715 Score: 0.906	Quercetin 3-O-sophoroside precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000718 Score: 0.906	Quercetin 3-O-xylosyl-rutinoside precursor	C₃₂H₃₈O₂₀ Mono mass: 742.195643624
PHUB000706 Score: 0.905	Quercetin 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside precursor	C₂₉H₃₂O₁₇ Mono mass: 652.16394957
PHUB000679 Score: 0.903	Kaempferol 3-O-acetyl-glucoside precursor	C₂₃H₂₂O₁₂ Mono mass: 490.111126148
PHUB000650 Score: 0.902	5,3',4'-Trihydroxy-3-methoxy-6:7-methylenedioxyflavone 4'-O-glucuronide precursor	C₂₃H₂₀O₁₄ Mono mass: 520.085305324
PHUB000705 Score: 0.902	Quercetin 3-O-(6''-malonyl-glucoside) 7-O-glucoside precursor	C₃₀H₃₂O₂₀ Mono mass: 712.14869343