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Mrv1571304251622092D          
  Mrv2104 06072104252D

32 35  0  0  1  0            999 V2000
   -2.1434   -3.1453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.9078    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -1.4953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.7328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.7328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.2578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.9797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.2578    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289    0.5672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.6703    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8579   -0.2578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.4953    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8579   -1.9078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869   -1.9078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  2  0  0  0  0
  7 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 19 25  1  0  0  0  0
  5 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  0  0  0  0
  3 30  1  0  0  0  0
 30 31  1  1  0  0  0
 14 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 100 results

PHUB000691 Score: 1.0	Kaempferol 7-O-glucoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000669 Score: 0.954	Isorhamnetin 7-O-rhamnoside precursor	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000865 Score: 0.952	Apigenin 7-O-glucoside precursor	C₂₁H₂₀O₁₀ Mono mass: 432.105646844
PHUB000719 Score: 0.941	Quercetin 7,4'-O-diglucoside precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000697 Score: 0.915	Myricetin 3-O-glucoside precursor	C₂₁H₂₀O₁₃ Mono mass: 480.090390704
PHUB000727 Score: 0.914	Spiraeoside precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000729 Score: 0.914	Quercetin 4'-O-glucoside 20229-56-5 precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000858 Score: 0.91	6-Hydroxyluteolin 7-O-rhamnoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000673 Score: 0.9	Kaempferol 3,7,4'-O-triglucoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000674 Score: 0.9	Kaempferol 3,7-O-diglucoside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000680 Score: 0.9	Kaempferol 3-O-galactoside 7-O-rhamnoside precursor	C₂₇H₃₀O₁₅ Mono mass: 594.158470266
PHUB000668 Score: 0.894	Isorhamnetin 4'-O-glucoside 58902-89-9 precursor metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000676 Score: 0.885	Kaempferol 3-O-(2''-rhamnosyl-galactoside) 7-O-rhamnoside precursor	C₃₃H₄₀O₁₉ Mono mass: 740.216379068
PHUB000688 Score: 0.885	Kaempferol 3-O-sophoroside 7-O-glucoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000708 Score: 0.878	Quercetin 3-O-galactoside 7-O-rhamnoside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000653 Score: 0.874	Kaempferol 3-O-glucoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000684 Score: 0.874	Kaempferol 3-O-rhamnoside precursor	C₂₁H₁₉O₁₀ Mono mass: 431.098370392
PHUB000728 Score: 0.874	Trifolin precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000863 Score: 0.869	Apigenin 7-O-(6''-malonyl-apiosyl-glucoside) precursor	C₂₉H₃₀O₁₇ Mono mass: 650.148299506
PHUB000681 Score: 0.867	Kaempferol 3-O-glucosyl-rhamnosyl-galactoside precursor	C₃₃H₄₀O₂₀ Mono mass: 756.211293688
PHUB000682 Score: 0.867	Kaempferol 3-O-glucosyl-rhamnosyl-glucoside precursor	C₃₃H₄₀O₂₀ Mono mass: 756.211293688
PHUB000686 Score: 0.867	Kaempferol 3-O-rutinoside precursor	C₂₇H₃₀O₁₅ Mono mass: 594.158470266
PHUB000689 Score: 0.867	Kaempferol 3-O-xylosyl-glucoside precursor	C₂₆H₂₈O₁₅ Mono mass: 580.142820202
PHUB000690 Score: 0.867	Kaempferol 3-O-xylosyl-rutinoside precursor	C₃₃H₄₀O₁₉ Mono mass: 740.216379068
PHUB000665 Score: 0.867	Isorhamnetin 3-O-glucoside 7-O-rhamnoside precursor	C₂₈H₃₂O₁₆ Mono mass: 624.16903495
PHUB000685 Score: 0.863	Kaempferol 3-O-rhamnosyl-rhamnosyl-glucoside precursor	C₃₃H₄₀O₁₉ Mono mass: 740.216379068
PHUB000687 Score: 0.86	Kaempferol 3-O-sophoroside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000660 Score: 0.852	Quercetin 3-O-galactoside precursor metabolite	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000661 Score: 0.852	Isoquercitrin 482-35-9 precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000696 Score: 0.852	Myricetin 3-O-galactoside precursor	C₂₁H₂₀O₁₃ Mono mass: 480.090390704
PHUB000699 Score: 0.852	Myricitrin precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084