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Mrv2104 06072104272D

45 49  0  0  0  0            999 V2000
   -3.6241   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3386   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3386   -2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6241   -2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9096   -2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9096   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1952   -1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1952   -2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4807   -2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4807   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7662   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0518    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7662   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0518   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6627   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6627   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0530   -1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6241   -3.5357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1952   -3.5357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3772    0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3772   -1.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4819   -1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1964   -1.4732    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.1964   -2.2982    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.4819   -2.7107    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.7675   -2.2982    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7675   -1.4732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0530   -2.7107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9109   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9109   -2.7107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6254   -1.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9109   -0.2357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4819   -3.5357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8629   -0.7588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6879   -0.7588    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  -11.1004   -1.4732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.6879   -2.1877    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.8629   -2.1877    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.4504   -1.4732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.4504   -2.9022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1004   -0.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9254   -1.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9255   -0.0443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6880    0.6702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1003   -2.9022    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
  7  6  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 13 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  2 17  1  0  0  0  0
  4 18  1  0  0  0  0
  8 19  2  0  0  0  0
 16 20  1  0  0  0  0
 15 21  1  0  0  0  0
 27 17  1  1  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 29  1  1  0  0  0
 25 24  1  0  0  0  0
 24 30  1  6  0  0  0
 25 26  1  0  0  0  0
 25 33  1  1  0  0  0
 26 27  1  0  0  0  0
 26 28  1  6  0  0  0
 29 31  1  0  0  0  0
 29 32  2  0  0  0  0
 39 31  1  1  0  0  0
 34 35  1  0  0  0  0
 34 39  1  0  0  0  0
 35 36  1  0  0  0  0
 35 41  1  1  0  0  0
 37 36  1  0  0  0  0
 36 42  1  6  0  0  0
 37 38  1  0  0  0  0
 37 45  1  1  0  0  0
 38 39  1  0  0  0  0
 38 40  1  6  0  0  0
 41 43  1  0  0  0  0
 41 44  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

PHUB000864 Score: 0.921	Apigenin 7-O-diglucuronide precursor metabolite	C₂₇H₂₆O₁₇ Mono mass: 622.116999377
PHUB000866 Score: 0.92	Apigenin 7-O-glucuronide metabolite	C₂₁H₁₈O₁₁ Mono mass: 446.0849114
PHUB000874 Score: 0.914	Chrysoeriol 7-O-(6''-malonyl-glucoside) precursor	C₂₅H₂₄O₁₄ Mono mass: 548.116605453
PHUB000873 Score: 0.903	Chrysoeriol 7-O-(6''-malonyl-apiosyl-glucoside) precursor	C₃₀H₃₂O₁₈ Mono mass: 680.15886419
PHUB000863 Score: 0.893	Apigenin 7-O-(6''-malonyl-apiosyl-glucoside) precursor	C₂₉H₃₀O₁₇ Mono mass: 650.148299506
PHUB000717 Score: 0.873	Quercetin 3-O-xylosyl-glucuronide precursor	C₂₆H₂₆O₁₇ Mono mass: 610.116999377
PHUB000650 Score: 0.853	5,3',4'-Trihydroxy-3-methoxy-6:7-methylenedioxyflavone 4'-O-glucuronide precursor	C₂₃H₂₀O₁₄ Mono mass: 520.085305324
PHUB000651 Score: 0.844	5,4'-Dihydroxy-3,3'-dimethoxy-6:7-methylenedioxyflavone 4'-O-glucuronide precursor	C₂₄H₂₂O₁₄ Mono mass: 534.100955388
PHUB000670 Score: 0.842	Jaceidin 4'-O-glucuronide precursor	C₂₄H₂₄O₁₄ Mono mass: 536.116605453
PHUB000669 Score: 0.839	Isorhamnetin 7-O-rhamnoside precursor	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000867 Score: 0.834	Apiin 26544-34-3 precursor	C₂₆H₂₈O₁₄ Mono mass: 564.147905582
PHUB000865 Score: 0.832	Apigenin 7-O-glucoside precursor	C₂₁H₂₀O₁₀ Mono mass: 432.105646844
PHUB000712 Score: 0.831	Quercetin 3-O-glucuronide 22688-79-5 precursor metabolite	C₂₁H₁₈O₁₃ Mono mass: 478.07474064
PHUB000858 Score: 0.831	6-Hydroxyluteolin 7-O-rhamnoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000666 Score: 0.829	Isorhamnetin 3-O-glucuronide 36687-76-0 metabolite	C₂₂H₂₀O₁₃ Mono mass: 492.090390704
PHUB000719 Score: 0.829	Quercetin 7,4'-O-diglucoside precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000705 Score: 0.826	Quercetin 3-O-(6''-malonyl-glucoside) 7-O-glucoside precursor	C₃₀H₃₂O₂₀ Mono mass: 712.14869343
PHUB000706 Score: 0.821	Quercetin 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside precursor	C₂₉H₃₂O₁₇ Mono mass: 652.16394957
PHUB000697 Score: 0.813	Myricetin 3-O-glucoside precursor	C₂₁H₂₀O₁₃ Mono mass: 480.090390704
PHUB000691 Score: 0.813	Kaempferol 7-O-glucoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000683 Score: 0.813	Kaempferol 3-O-glucuronide precursor metabolite	C₂₁H₁₈O₁₂ Mono mass: 462.07982602
PHUB000678 Score: 0.806	Kaempferol 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside precursor	C₂₉H₃₂O₁₆ Mono mass: 636.16903495
PHUB000727 Score: 0.805	Spiraeoside precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000729 Score: 0.805	Quercetin 4'-O-glucoside 20229-56-5 precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000704 Score: 0.804	Quercetin 3-O-(6''-malonyl-glucoside) precursor	C₂₄H₂₂O₁₅ Mono mass: 550.095870008
PHUB000668 Score: 0.796	Isorhamnetin 4'-O-glucoside 58902-89-9 precursor metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000707 Score: 0.79	Quercetin 3-O-acetyl-rhamnoside precursor	C₂₃H₂₂O₁₂ Mono mass: 490.111126148
PHUB000677 Score: 0.789	Kaempferol 3-O-(6''-malonyl-glucoside) precursor	C₂₄H₂₂O₁₄ Mono mass: 534.100955388
PHUB000679 Score: 0.784	Kaempferol 3-O-acetyl-glucoside precursor	C₂₃H₂₂O₁₂ Mono mass: 490.111126148
PHUB000708 Score: 0.779	Quercetin 3-O-galactoside 7-O-rhamnoside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000218 Score: 0.777	6''-O-Malonylgenistin precursor	C₂₄H₂₂O₁₃ Mono mass: 518.106040768