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Mrv2104 05092309392D

32 35  0  0  0  0            999 V2000
    1.7410    2.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0265    2.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0265    1.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7410    1.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4555    1.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4555    2.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3120    1.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3122    0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0267   -0.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7412    0.3588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0267   -0.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3122   -1.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3122   -2.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0267   -2.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7412   -2.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7412   -1.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1700    2.8339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3121    2.8339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4024    1.5960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0267   -3.3537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3123   -3.7662    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4021   -3.3537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1167   -3.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1166   -4.5912    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4022   -5.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3123   -4.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8312   -3.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5456   -3.7663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8312   -2.5288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310   -5.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4022   -5.8288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0268   -5.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  7  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
  6 17  1  0  0  0  0
  2 18  1  0  0  0  0
  7 19  2  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
 14 20  1  0  0  0  0
 21 20  1  1  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
 22 23  1  0  0  0  0
 21 22  1  0  0  0  0
 23 27  1  0  0  0  0
 26 32  1  0  0  0  0
 25 31  1  0  0  0  0
 24 30  1  1  0  0  0
 27 28  1  0  0  0  0
 27 29  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

PHUB000866 Score: 0.968	Apigenin 7-O-glucuronide metabolite	C₂₁H₁₈O₁₁ Mono mass: 446.0849114
PHUB000864 Score: 0.951	Apigenin 7-O-diglucuronide precursor metabolite	C₂₇H₂₆O₁₇ Mono mass: 622.116999377
PHUB000897 Score: 0.934	Luteolin 7-O-glucuronide precursor metabolite	C₂₁H₁₈O₁₂ Mono mass: 462.07982602
PHUB001141 Score: 0.895	Quercetin 3'-O-glucuronide 328006-77-5 metabolite	C₂₁H₁₈O₁₃ Mono mass: 478.07474064
PHUB000895 Score: 0.891	Luteolin 7-O-diglucuronide precursor	C₂₇H₂₆O₁₈ Mono mass: 638.111913997
PHUB001138 Score: 0.891	Isorhamnetin 7-O-glucuronide metabolite	C₂₂H₂₀O₁₃ Mono mass: 492.090390704
PHUB000865 Score: 0.872	Apigenin 7-O-glucoside precursor	C₂₁H₂₀O₁₀ Mono mass: 432.105646844
PHUB000863 Score: 0.87	Apigenin 7-O-(6''-malonyl-apiosyl-glucoside) precursor	C₂₉H₃₀O₁₇ Mono mass: 650.148299506
PHUB000888 Score: 0.864	Isorhoifolin precursor	C₂₇H₃₀O₁₄ Mono mass: 578.163555646
PHUB001923 Score: 0.864	Apigenin 7-O-rutinoside 552-57-8 precursor	C₂₇H₃₀O₁₄ Mono mass: 578.163555646
PHUB000683 Score: 0.862	Kaempferol 3-O-glucuronide precursor metabolite	C₂₁H₁₈O₁₂ Mono mass: 462.07982602
PHUB000903 Score: 0.857	Rhoifolin precursor	C₂₇H₃₀O₁₄ Mono mass: 578.163555646
PHUB000904 Score: 0.857	Rhoifolin 4'-O-glucoside precursor	C₃₃H₄₀O₁₉ Mono mass: 740.216379068
PHUB000867 Score: 0.849	Apiin 26544-34-3 precursor	C₂₆H₂₈O₁₄ Mono mass: 564.147905582
PHUB000670 Score: 0.848	Jaceidin 4'-O-glucuronide precursor	C₂₄H₂₄O₁₄ Mono mass: 536.116605453
PHUB000712 Score: 0.845	Quercetin 3-O-glucuronide 22688-79-5 precursor metabolite	C₂₁H₁₈O₁₃ Mono mass: 478.07474064
PHUB000898 Score: 0.845	Luteolin 7-O-malonyl-glucoside precursor	C₂₄H₂₂O₁₄ Mono mass: 534.100955388
PHUB000896 Score: 0.841	Luteolin 7-O-glucoside 5373-11-5 precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000874 Score: 0.838	Chrysoeriol 7-O-(6''-malonyl-glucoside) precursor	C₂₅H₂₄O₁₄ Mono mass: 548.116605453
PHUB000666 Score: 0.835	Isorhamnetin 3-O-glucuronide 36687-76-0 metabolite	C₂₂H₂₀O₁₃ Mono mass: 492.090390704
PHUB000691 Score: 0.834	Kaempferol 7-O-glucoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000899 Score: 0.834	Luteolin 7-O-rutinoside 25694-72-8 precursor	C₂₇H₃₀O₁₅ Mono mass: 594.158470266
PHUB000893 Score: 0.834	Luteolin 7-O-(2-apiosyl-6-malonyl)-glucoside precursor	C₂₉H₃₀O₁₈ Mono mass: 666.143214126
PHUB000650 Score: 0.831	5,3',4'-Trihydroxy-3-methoxy-6:7-methylenedioxyflavone 4'-O-glucuronide precursor	C₂₃H₂₀O₁₄ Mono mass: 520.085305324
PHUB000876 Score: 0.83	Chrysoeriol 7-O-glucoside precursor	C₂₂H₂₂O₁₁ Mono mass: 462.116211528
PHUB000881 Score: 0.83	Diosmin precursor	C₂₈H₃₂O₁₅ Mono mass: 608.17412033
PHUB000873 Score: 0.827	Chrysoeriol 7-O-(6''-malonyl-apiosyl-glucoside) precursor	C₃₀H₃₂O₁₈ Mono mass: 680.15886419
PHUB000894 Score: 0.823	Luteolin 7-O-(2-apiosyl-glucoside) 63808-23-1 precursor	C₂₆H₂₈O₁₅ Mono mass: 580.142820202
PHUB002574 Score: 0.823	Graveobioside A 63808-23-1 precursor	C₂₆H₂₈O₁₅ Mono mass: 580.142820202
PHUB000727 Score: 0.817	Spiraeoside precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000729 Score: 0.817	Quercetin 4'-O-glucoside 20229-56-5 precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000651 Score: 0.815	5,4'-Dihydroxy-3,3'-dimethoxy-6:7-methylenedioxyflavone 4'-O-glucuronide precursor	C₂₄H₂₂O₁₄ Mono mass: 534.100955388
PHUB000875 Score: 0.813	Chrysoeriol 7-O-apiosyl-glucoside 33579-63-4 precursor	C₂₇H₃₀O₁₅ Mono mass: 594.158470266