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Mrv2104 06072104272D

39 42  0  0  0  0            999 V2000
    6.3840    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3840    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0984    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6695    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9550    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9550    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6695   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2405   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2405   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5261   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5261   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8116   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8116   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5261    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0971    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3827   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6682    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6682    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3827    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3827    2.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0971    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6682    2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6682    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0463    2.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7608    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0463    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7608    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3827   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0971   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0971   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0971    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6846    4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0971    4.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6846    5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0971    6.1579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8596    4.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8596    5.4434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6695    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9550    2.4750    0.0000 C   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
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  8 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 21 31  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 18 26  1  0  0  0  0
 26 27  1  6  0  0  0
 16 28  1  0  0  0  0
 28 29  2  0  0  0  0
 12 29  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 32 36  2  0  0  0  0
 34 37  2  0  0  0  0
  4 38  1  0  0  0  0
 38 39  1  0  0  0  0
 18 17  1  1  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

PHUB000863 Score: 0.961	Apigenin 7-O-(6''-malonyl-apiosyl-glucoside) precursor	C₂₉H₃₀O₁₇ Mono mass: 650.148299506
PHUB000669 Score: 0.894	Isorhamnetin 7-O-rhamnoside precursor	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000705 Score: 0.883	Quercetin 3-O-(6''-malonyl-glucoside) 7-O-glucoside precursor	C₃₀H₃₂O₂₀ Mono mass: 712.14869343
PHUB000719 Score: 0.875	Quercetin 7,4'-O-diglucoside precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000858 Score: 0.87	6-Hydroxyluteolin 7-O-rhamnoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000864 Score: 0.868	Apigenin 7-O-diglucuronide precursor metabolite	C₂₇H₂₆O₁₇ Mono mass: 622.116999377
PHUB000697 Score: 0.867	Myricetin 3-O-glucoside precursor	C₂₁H₂₀O₁₃ Mono mass: 480.090390704
PHUB000865 Score: 0.865	Apigenin 7-O-glucoside precursor	C₂₁H₂₀O₁₀ Mono mass: 432.105646844
PHUB000706 Score: 0.864	Quercetin 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside precursor	C₂₉H₃₂O₁₇ Mono mass: 652.16394957
PHUB000704 Score: 0.86	Quercetin 3-O-(6''-malonyl-glucoside) precursor	C₂₄H₂₂O₁₅ Mono mass: 550.095870008
PHUB000691 Score: 0.852	Kaempferol 7-O-glucoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000727 Score: 0.85	Spiraeoside precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000729 Score: 0.85	Quercetin 4'-O-glucoside 20229-56-5 precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000678 Score: 0.848	Kaempferol 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside precursor	C₂₉H₃₂O₁₆ Mono mass: 636.16903495
PHUB000668 Score: 0.848	Isorhamnetin 4'-O-glucoside 58902-89-9 precursor metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000677 Score: 0.844	Kaempferol 3-O-(6''-malonyl-glucoside) precursor	C₂₄H₂₂O₁₄ Mono mass: 534.100955388
PHUB000218 Score: 0.835	6''-O-Malonylgenistin precursor	C₂₄H₂₂O₁₃ Mono mass: 518.106040768
PHUB000707 Score: 0.831	Quercetin 3-O-acetyl-rhamnoside precursor	C₂₃H₂₂O₁₂ Mono mass: 490.111126148
PHUB000665 Score: 0.825	Isorhamnetin 3-O-glucoside 7-O-rhamnoside precursor	C₂₈H₃₂O₁₆ Mono mass: 624.16903495
PHUB000679 Score: 0.825	Kaempferol 3-O-acetyl-glucoside precursor	C₂₃H₂₂O₁₂ Mono mass: 490.111126148
PHUB000650 Score: 0.82	5,3',4'-Trihydroxy-3-methoxy-6:7-methylenedioxyflavone 4'-O-glucuronide precursor	C₂₃H₂₀O₁₄ Mono mass: 520.085305324
PHUB000651 Score: 0.818	5,4'-Dihydroxy-3,3'-dimethoxy-6:7-methylenedioxyflavone 4'-O-glucuronide precursor	C₂₄H₂₂O₁₄ Mono mass: 534.100955388
PHUB000675 Score: 0.817	Kaempferol 3-O-(2''-rhamnosyl-6''-acetyl-galactoside) 7-O-rhamnoside precursor	C₃₄H₄₀O₂₁ Mono mass: 784.206208308
PHUB000670 Score: 0.814	Jaceidin 4'-O-glucuronide precursor	C₂₄H₂₄O₁₄ Mono mass: 536.116605453
PHUB000708 Score: 0.813	Quercetin 3-O-galactoside 7-O-rhamnoside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000215 Score: 0.811	6''-O-Acetylgenistin precursor	C₂₃H₂₂O₁₁ Mono mass: 474.116211528
PHUB000717 Score: 0.805	Quercetin 3-O-xylosyl-glucuronide precursor	C₂₆H₂₆O₁₇ Mono mass: 610.116999377
PHUB000666 Score: 0.802	Isorhamnetin 3-O-glucuronide 36687-76-0 metabolite	C₂₂H₂₀O₁₃ Mono mass: 492.090390704
PHUB000663 Score: 0.802	Isorhamnetin 3-O-galactoside precursor	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000664 Score: 0.802	Isorhamnetin 3-O-glucoside precursor	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000667 Score: 0.802	Isorhamnetin 3-O-rutinoside precursor	C₂₂H₂₂O₁₁ Mono mass: 462.116211528