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5486615
  Mrv2104 06072104252D

34 37  0  0  1  0            999 V2000
    4.2364    1.9515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219    0.7140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798    0.7140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798    2.3640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508   -0.1110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    3.6015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654   -1.3485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929   -0.1110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929   -1.7610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -2.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654   -3.8235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1078   -3.8521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5777   -1.3287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    1.1265    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6654    1.9515    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9508    0.7140    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9508    2.3640    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2364    1.1265    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9508    3.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -0.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -0.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -1.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -1.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508   -1.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508   -2.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798   -2.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798   -1.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654   -2.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1173   -3.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1173   -1.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8648   -1.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8648   -2.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18  2  1  6  0  0  0
  2 20  1  0  0  0  0
 14  3  1  6  0  0  0
 15  4  1  1  0  0  0
 16  5  1  1  0  0  0
  6 19  1  0  0  0  0
  7 26  1  0  0  0  0
  7 29  1  0  0  0  0
  8 22  1  0  0  0  0
  9 24  1  0  0  0  0
 10 27  1  0  0  0  0
 11 30  2  0  0  0  0
 12 31  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  6  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
 29 32  2  0  0  0  0
 31 34  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  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 100 results

PHUB000697 Score: 1.0	Myricetin 3-O-glucoside precursor	C₂₁H₂₀O₁₃ Mono mass: 480.090390704
PHUB000727 Score: 0.982	Spiraeoside precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000729 Score: 0.982	Quercetin 4'-O-glucoside 20229-56-5 precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000668 Score: 0.977	Isorhamnetin 4'-O-glucoside 58902-89-9 precursor metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000719 Score: 0.973	Quercetin 7,4'-O-diglucoside precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000669 Score: 0.96	Isorhamnetin 7-O-rhamnoside precursor	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000858 Score: 0.934	6-Hydroxyluteolin 7-O-rhamnoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000691 Score: 0.915	Kaempferol 7-O-glucoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000663 Score: 0.903	Isorhamnetin 3-O-galactoside precursor	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000664 Score: 0.903	Isorhamnetin 3-O-glucoside precursor	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000703 Score: 0.903	Quercetin 3,4'-O-diglucoside 29125-80-2 precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000665 Score: 0.897	Isorhamnetin 3-O-glucoside 7-O-rhamnoside precursor	C₂₈H₃₂O₁₆ Mono mass: 624.16903495
PHUB000667 Score: 0.895	Isorhamnetin 3-O-rutinoside precursor	C₂₂H₂₂O₁₁ Mono mass: 462.116211528
PHUB000660 Score: 0.891	Quercetin 3-O-galactoside precursor metabolite	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000661 Score: 0.891	Isoquercitrin 482-35-9 precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000696 Score: 0.891	Myricetin 3-O-galactoside precursor	C₂₁H₂₀O₁₃ Mono mass: 480.090390704
PHUB000699 Score: 0.891	Myricitrin precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000720 Score: 0.891	Quercitrin precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000726 Score: 0.885	Spinacetin 3-O-glucosyl-(1->6)-glucoside precursor	C₂₉H₃₄O₁₈ Mono mass: 670.174514255
PHUB000708 Score: 0.884	Quercetin 3-O-galactoside 7-O-rhamnoside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000698 Score: 0.883	Myricetin 3-O-rutinoside precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000709 Score: 0.883	Quercetin 3-O-glucosyl-rhamnosyl-galactoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000710 Score: 0.883	Quercetin 3-O-glucosyl-rhamnosyl-glucoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000711 Score: 0.883	Quercetin 3-O-glucosyl-xyloside precursor	C₂₆H₂₈O₁₆ Mono mass: 596.137734822
PHUB000714 Score: 0.883	Quercetin 3-O-rhamnosyl-rhamnosyl-glucoside precursor	C₃₃H₄₀O₂₀ Mono mass: 756.211293688
PHUB000722 Score: 0.883	Rutin precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000695 Score: 0.878	Myricetin 3-O-arabinoside precursor	C₂₀H₁₈O₁₂ Mono mass: 450.07982602
PHUB000713 Score: 0.876	Quercetin 3-O-rhamnosyl-galactoside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000715 Score: 0.876	Quercetin 3-O-sophoroside precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000718 Score: 0.876	Quercetin 3-O-xylosyl-rutinoside precursor	C₃₂H₃₈O₂₀ Mono mass: 742.195643624
PHUB000725 Score: 0.874	Spinacetin 3-O-glucosyl-(1->6)-[apiosyl(1->2)]-glucoside precursor	C₃₄H₄₂O₂₂ Mono mass: 802.216772992