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Mrv2104 06072104302D

35 38  0  0  1  0            999 V2000
   10.5653   -7.3524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8550   -6.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8516   -6.9382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5689   -5.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1410   -5.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1342   -7.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5724   -4.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2793   -6.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3826   -6.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4203   -6.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1308   -8.1729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2863   -4.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9967   -5.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7134   -5.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7134   -7.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0002   -4.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9961   -6.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9961   -6.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7134   -8.1694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7174   -4.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2822   -5.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5680   -6.1061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8531   -5.6944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1380   -6.1092    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1401   -6.9321    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8551   -7.3437    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5680   -6.9327    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4224   -5.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8553   -8.1691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2824   -7.3454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4261   -7.3459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4206   -4.8731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7087   -6.1126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2893   -3.6439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7096   -6.1261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
  9 10  1  0  0  0  0
 13 16  2  0  0  0  0
 17 18  2  0  0  0  0
 24 25  1  0  0  0  0
 27 30  1  6  0  0  0
 25 26  1  0  0  0  0
 25 31  1  6  0  0  0
 26 27  1  0  0  0  0
 28 32  2  0  0  0  0
 27 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 28  1  1  0  0  0
 23 24  1  0  0  0  0
 26 29  1  1  0  0  0
 28 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 22 21  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

PHUB000866 Score: 0.932	Apigenin 7-O-glucuronide metabolite	C₂₁H₁₈O₁₁ Mono mass: 446.0849114
PHUB000650 Score: 0.922	5,3',4'-Trihydroxy-3-methoxy-6:7-methylenedioxyflavone 4'-O-glucuronide precursor	C₂₃H₂₀O₁₄ Mono mass: 520.085305324
PHUB000864 Score: 0.916	Apigenin 7-O-diglucuronide precursor metabolite	C₂₇H₂₆O₁₇ Mono mass: 622.116999377
PHUB000651 Score: 0.904	5,4'-Dihydroxy-3,3'-dimethoxy-6:7-methylenedioxyflavone 4'-O-glucuronide precursor	C₂₄H₂₂O₁₄ Mono mass: 534.100955388
PHUB000669 Score: 0.903	Isorhamnetin 7-O-rhamnoside precursor	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000670 Score: 0.902	Jaceidin 4'-O-glucuronide precursor	C₂₄H₂₄O₁₄ Mono mass: 536.116605453
PHUB000719 Score: 0.9	Quercetin 7,4'-O-diglucoside precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000712 Score: 0.898	Quercetin 3-O-glucuronide 22688-79-5 precursor metabolite	C₂₁H₁₈O₁₃ Mono mass: 478.07474064
PHUB000666 Score: 0.888	Isorhamnetin 3-O-glucuronide 36687-76-0 metabolite	C₂₂H₂₀O₁₃ Mono mass: 492.090390704
PHUB000691 Score: 0.885	Kaempferol 7-O-glucoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000683 Score: 0.879	Kaempferol 3-O-glucuronide precursor metabolite	C₂₁H₁₈O₁₂ Mono mass: 462.07982602
PHUB000697 Score: 0.876	Myricetin 3-O-glucoside precursor	C₂₁H₂₀O₁₃ Mono mass: 480.090390704
PHUB000727 Score: 0.875	Spiraeoside precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000729 Score: 0.875	Quercetin 4'-O-glucoside 20229-56-5 precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000858 Score: 0.864	6-Hydroxyluteolin 7-O-rhamnoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000717 Score: 0.861	Quercetin 3-O-xylosyl-glucuronide precursor	C₂₆H₂₆O₁₇ Mono mass: 610.116999377
PHUB000668 Score: 0.857	Isorhamnetin 4'-O-glucoside 58902-89-9 precursor metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000863 Score: 0.857	Apigenin 7-O-(6''-malonyl-apiosyl-glucoside) precursor	C₂₉H₃₀O₁₇ Mono mass: 650.148299506
PHUB000706 Score: 0.844	Quercetin 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside precursor	C₂₉H₃₂O₁₇ Mono mass: 652.16394957
PHUB000708 Score: 0.844	Quercetin 3-O-galactoside 7-O-rhamnoside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000865 Score: 0.843	Apigenin 7-O-glucoside precursor	C₂₁H₂₀O₁₀ Mono mass: 432.105646844
PHUB000705 Score: 0.842	Quercetin 3-O-(6''-malonyl-glucoside) 7-O-glucoside precursor	C₃₀H₃₂O₂₀ Mono mass: 712.14869343
PHUB000665 Score: 0.834	Isorhamnetin 3-O-glucoside 7-O-rhamnoside precursor	C₂₈H₃₂O₁₆ Mono mass: 624.16903495
PHUB000678 Score: 0.829	Kaempferol 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside precursor	C₂₉H₃₂O₁₆ Mono mass: 636.16903495
PHUB000660 Score: 0.82	Quercetin 3-O-galactoside precursor metabolite	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000661 Score: 0.82	Isoquercitrin 482-35-9 precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000673 Score: 0.82	Kaempferol 3,7,4'-O-triglucoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000674 Score: 0.82	Kaempferol 3,7-O-diglucoside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000680 Score: 0.82	Kaempferol 3-O-galactoside 7-O-rhamnoside precursor	C₂₇H₃₀O₁₅ Mono mass: 594.158470266
PHUB000696 Score: 0.82	Myricetin 3-O-galactoside precursor	C₂₁H₂₀O₁₃ Mono mass: 480.090390704
PHUB000699 Score: 0.82	Myricitrin precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084