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Mrv2104 06072104302D

16 17  0  0  0  0            999 V2000
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  8 14  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  2  0  0  0  0
  2 16  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 — 19 of approximately 19 results

PHUB001500 Score: 1.0	Lunularine metabolite	C₁₄H₁₄O₂ Mono mass: 214.099379691
PHUB001323 Score: 0.945	Dihydro-resveratrol precursor metabolite	C₁₄H₁₄O₃ Mono mass: 230.094294311
PHUB001561 Score: 0.912	Dihydro-piceatannol precursor	C₁₄H₁₄O₄ Mono mass: 246.089208931
PHUB002105 Score: 0.907	test2	C₉H₁₂O₂ Mono mass: 152.083729626
PHUB000538 Score: 0.796	4-Ethylcatechol precursor metabolite	C₈H₁₀O₂ Mono mass: 138.068079562
PHUB000552 Score: 0.726	5-Heneicosylresorcinol 70110-59-7 precursor	C₂₇H₄₈O₂ Mono mass: 404.365430786
PHUB000554 Score: 0.726	5-Heptadecylresorcinol 41442-57-3 precursor	C₂₃H₄₀O₂ Mono mass: 348.302830528
PHUB000556 Score: 0.726	5-Nonadecylresorcinol 35176-46-6 precursor	C₂₅H₄₄O₂ Mono mass: 376.334130657
PHUB000560 Score: 0.726	5-Pentacosylresorcinol 70110-61-1 precursor	C₃₁H₅₆O₂ Mono mass: 460.428031043
PHUB000561 Score: 0.726	5-Pentadecylresorcinol 3158-56-3 precursor	C₂₁H₃₆O₂ Mono mass: 320.271530399
PHUB000564 Score: 0.726	5-Tricosylresorcinol 70110-60-0 precursor	C₂₉H₅₂O₂ Mono mass: 432.396730914
PHUB001379 Score: 0.726	Alkenylresorcinol C19:0 precursor	C₂₅H₄₄O₂ Mono mass: 376.334130657
PHUB002317 Score: 0.726	5-Eicosylresorcinol 64645-61-0 precursor	C₂₆H₄₆O₂ Mono mass: 390.349780721
PHUB002318 Score: 0.726	5-Octadecylresorcinol precursor	C₂₄H₄₂O₂ Mono mass: 362.318480592
PHUB002400 Score: 0.726	5-hexadecyl-1,3-Benzenediol 84765-48-0 metabolite	C₂₂H₃₈O₂ Mono mass: 334.287180464
PHUB002898 Score: 0.726	5-n-docosylresorcinol 64645-62-1 precursor	C₂₈H₅₀O₂ Mono mass: 418.381080833
PHUB002900 Score: 0.726	5-Tetracosylresorcinol precursor	C₃₀H₅₄O₂ Mono mass: 446.412380961
PHUB002901 Score: 0.726	5-n-Hexacosylresorcinol precursor	C₃₂H₅₈O₂ Mono mass: 474.443681108
PHUB001321 Score: 0.717	3'-Hydroxytyrosol 10597-60-1 precursor metabolite	C₈H₁₀O₃ Mono mass: 154.062994182
PHUB001698 Score: 0.717	Hydroxytyrosol 10597-60-1 precursor	C₈H₁₀O₃ Mono mass: 154.062994182
PHUB000540 Score: 0.712	4-Ethylphenol metabolite	C₈H₁₀O Mono mass: 122.073164942