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Mrv2104 06072104272D

46 50  0  0  0  0            999 V2000
   -0.9814   -0.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9781    0.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700   -1.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6930   -1.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2598    0.5563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6862    0.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4485   -0.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2734   -1.9187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4044   -0.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6930   -1.9144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4554    0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4044    0.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1736    1.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8886    0.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8918    1.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6033    0.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6033    1.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3183    1.7823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5483    0.5640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2627    0.1515    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2627   -0.6735    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5483   -1.0860    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8338   -0.6735    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8338    0.1515    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -7.7312   -0.8880    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.4763   -0.1034    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2463   -1.5554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0411   -1.5554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5958    0.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2089   -0.4005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0667   -0.4005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3523    0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6378   -0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9233    0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3523    0.8370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9233    0.8370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
 18 19  1  0  0  0  0
 26 14  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 25 27  1  6  0  0  0
 24 28  1  1  0  0  0
 23 29  1  6  0  0  0
 22 30  1  1  0  0  0
 30 31  1  0  0  0  0
 36 31  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 32 36  1  0  0  0  0
 35 37  1  6  0  0  0
 34 38  1  6  0  0  0
 33 39  1  1  0  0  0
 39 40  1  0  0  0  0
 44 40  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 42 45  2  0  0  0  0
 44 46  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

PHUB000863 Score: 1.0	Apigenin 7-O-(6''-malonyl-apiosyl-glucoside) precursor	C₂₉H₃₀O₁₇ Mono mass: 650.148299506
PHUB000864 Score: 0.901	Apigenin 7-O-diglucuronide precursor metabolite	C₂₇H₂₆O₁₇ Mono mass: 622.116999377
PHUB000866 Score: 0.9	Apigenin 7-O-glucuronide metabolite	C₂₁H₁₈O₁₁ Mono mass: 446.0849114
PHUB000865 Score: 0.9	Apigenin 7-O-glucoside precursor	C₂₁H₂₀O₁₀ Mono mass: 432.105646844
PHUB000691 Score: 0.869	Kaempferol 7-O-glucoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000705 Score: 0.863	Quercetin 3-O-(6''-malonyl-glucoside) 7-O-glucoside precursor	C₃₀H₃₂O₂₀ Mono mass: 712.14869343
PHUB000218 Score: 0.86	6''-O-Malonylgenistin precursor	C₂₄H₂₂O₁₃ Mono mass: 518.106040768
PHUB000678 Score: 0.857	Kaempferol 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside precursor	C₂₉H₃₂O₁₆ Mono mass: 636.16903495
PHUB000669 Score: 0.856	Isorhamnetin 7-O-rhamnoside precursor	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000677 Score: 0.853	Kaempferol 3-O-(6''-malonyl-glucoside) precursor	C₂₄H₂₂O₁₄ Mono mass: 534.100955388
PHUB000719 Score: 0.845	Quercetin 7,4'-O-diglucoside precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000706 Score: 0.843	Quercetin 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside precursor	C₂₉H₃₂O₁₇ Mono mass: 652.16394957
PHUB000858 Score: 0.84	6-Hydroxyluteolin 7-O-rhamnoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000704 Score: 0.839	Quercetin 3-O-(6''-malonyl-glucoside) precursor	C₂₄H₂₂O₁₅ Mono mass: 550.095870008
PHUB000215 Score: 0.834	6''-O-Acetylgenistin precursor	C₂₃H₂₂O₁₁ Mono mass: 474.116211528
PHUB000679 Score: 0.833	Kaempferol 3-O-acetyl-glucoside precursor	C₂₃H₂₂O₁₂ Mono mass: 490.111126148
PHUB000697 Score: 0.829	Myricetin 3-O-glucoside precursor	C₂₁H₂₀O₁₃ Mono mass: 480.090390704
PHUB000675 Score: 0.824	Kaempferol 3-O-(2''-rhamnosyl-6''-acetyl-galactoside) 7-O-rhamnoside precursor	C₃₄H₄₀O₂₁ Mono mass: 784.206208308
PHUB000727 Score: 0.82	Spiraeoside precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000729 Score: 0.82	Quercetin 4'-O-glucoside 20229-56-5 precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000217 Score: 0.817	6''-O-Malonyldaidzin precursor	C₂₄H₂₂O₁₂ Mono mass: 502.111126148
PHUB000668 Score: 0.811	Isorhamnetin 4'-O-glucoside 58902-89-9 precursor metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000707 Score: 0.81	Quercetin 3-O-acetyl-rhamnoside precursor	C₂₃H₂₂O₁₂ Mono mass: 490.111126148
PHUB000676 Score: 0.798	Kaempferol 3-O-(2''-rhamnosyl-galactoside) 7-O-rhamnoside precursor	C₃₃H₄₀O₁₉ Mono mass: 740.216379068
PHUB000688 Score: 0.798	Kaempferol 3-O-sophoroside 7-O-glucoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000673 Score: 0.797	Kaempferol 3,7,4'-O-triglucoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000674 Score: 0.797	Kaempferol 3,7-O-diglucoside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000680 Score: 0.797	Kaempferol 3-O-galactoside 7-O-rhamnoside precursor	C₂₇H₃₀O₁₅ Mono mass: 594.158470266
PHUB000650 Score: 0.792	5,3',4'-Trihydroxy-3-methoxy-6:7-methylenedioxyflavone 4'-O-glucuronide precursor	C₂₃H₂₀O₁₄ Mono mass: 520.085305324
PHUB000708 Score: 0.792	Quercetin 3-O-galactoside 7-O-rhamnoside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000214 Score: 0.791	6''-O-Acetyldaidzin precursor	C₂₃H₂₂O₁₀ Mono mass: 458.121296908