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5281613
  Mrv2104 06072104272D

43 47  0  0  1  0            999 V2000
    9.5685    0.8328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7230   -2.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0038   -0.8118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7136    0.4285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7072    2.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8493    2.0675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2751    2.8980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5780   -1.6423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5845   -3.2923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0165   -4.1118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    2.0475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3794   -0.4560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.4274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    3.2850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    4.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2846    0.4230    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9974    0.8382    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9943    1.6632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2782    2.0730    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2941   -2.0520    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0070   -1.6368    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2973   -2.8771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0134   -3.2868    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5653    1.6578    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7263   -2.8715    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2878   -0.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4423   -3.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1364    1.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3889    2.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1364    0.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    1.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3889    0.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    0.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    1.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    2.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    2.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    3.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 24  1  0  0  0  0
  2 21  1  0  0  0  0
  2 25  1  0  0  0  0
 21  3  1  6  0  0  0
  3 26  1  0  0  0  0
 17  4  1  6  0  0  0
 18  5  1  1  0  0  0
 24  6  1  1  0  0  0
  6 28  1  0  0  0  0
 19  7  1  6  0  0  0
 20  8  1  1  0  0  0
 22  9  1  1  0  0  0
 23 10  1  6  0  0  0
 11 31  1  0  0  0  0
 11 35  1  0  0  0  0
 12 32  1  0  0  0  0
 13 34  2  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 25  1  0  0  0  0
 25 27  1  1  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 36  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 38 40  1  0  0  0  0
 39 41  2  0  0  0  0
 40 42  2  0  0  0  0
 41 42  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

PHUB000865 Score: 0.947	Apigenin 7-O-glucoside precursor	C₂₁H₂₀O₁₀ Mono mass: 432.105646844
PHUB000669 Score: 0.941	Isorhamnetin 7-O-rhamnoside precursor	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000858 Score: 0.941	6-Hydroxyluteolin 7-O-rhamnoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000719 Score: 0.928	Quercetin 7,4'-O-diglucoside precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000691 Score: 0.922	Kaempferol 7-O-glucoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000697 Score: 0.902	Myricetin 3-O-glucoside precursor	C₂₁H₂₀O₁₃ Mono mass: 480.090390704
PHUB000727 Score: 0.901	Spiraeoside precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000729 Score: 0.901	Quercetin 4'-O-glucoside 20229-56-5 precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000668 Score: 0.882	Isorhamnetin 4'-O-glucoside 58902-89-9 precursor metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000863 Score: 0.882	Apigenin 7-O-(6''-malonyl-apiosyl-glucoside) precursor	C₂₉H₃₀O₁₇ Mono mass: 650.148299506
PHUB000864 Score: 0.862	Apigenin 7-O-diglucuronide precursor metabolite	C₂₇H₂₆O₁₇ Mono mass: 622.116999377
PHUB000708 Score: 0.858	Quercetin 3-O-galactoside 7-O-rhamnoside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000665 Score: 0.855	Isorhamnetin 3-O-glucoside 7-O-rhamnoside precursor	C₂₈H₃₂O₁₆ Mono mass: 624.16903495
PHUB000676 Score: 0.842	Kaempferol 3-O-(2''-rhamnosyl-galactoside) 7-O-rhamnoside precursor	C₃₃H₄₀O₁₉ Mono mass: 740.216379068
PHUB000688 Score: 0.842	Kaempferol 3-O-sophoroside 7-O-glucoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000698 Score: 0.842	Myricetin 3-O-rutinoside precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000709 Score: 0.842	Quercetin 3-O-glucosyl-rhamnosyl-galactoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000710 Score: 0.842	Quercetin 3-O-glucosyl-rhamnosyl-glucoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000711 Score: 0.842	Quercetin 3-O-glucosyl-xyloside precursor	C₂₆H₂₈O₁₆ Mono mass: 596.137734822
PHUB000714 Score: 0.842	Quercetin 3-O-rhamnosyl-rhamnosyl-glucoside precursor	C₃₃H₄₀O₂₀ Mono mass: 756.211293688
PHUB000722 Score: 0.842	Rutin precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000673 Score: 0.841	Kaempferol 3,7,4'-O-triglucoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000674 Score: 0.841	Kaempferol 3,7-O-diglucoside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000680 Score: 0.841	Kaempferol 3-O-galactoside 7-O-rhamnoside precursor	C₂₇H₃₀O₁₅ Mono mass: 594.158470266
PHUB000713 Score: 0.835	Quercetin 3-O-rhamnosyl-galactoside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000715 Score: 0.835	Quercetin 3-O-sophoroside precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000718 Score: 0.835	Quercetin 3-O-xylosyl-rutinoside precursor	C₃₂H₃₈O₂₀ Mono mass: 742.195643624
PHUB000660 Score: 0.833	Quercetin 3-O-galactoside precursor metabolite	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000661 Score: 0.833	Isoquercitrin 482-35-9 precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000696 Score: 0.833	Myricetin 3-O-galactoside precursor	C₂₁H₂₀O₁₃ Mono mass: 480.090390704
PHUB000699 Score: 0.833	Myricitrin precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084