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Mrv2104 06072104332D

16 16  0  0  0  0            999 V2000
    8.4784   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7639   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7639   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0494   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3350   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6205   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9060   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1916   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4771   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7626   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7626   -4.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0482   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4771   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4771   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1916   -4.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0482   -3.7125    0.0000 O   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
  2  4  1  0  0  0  0
  4  5  1  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
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  8 15  1  0  0  0  0
 10 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 — 30 of approximately 30 results

PHUB001836 Score: 1.0	3’,4’,5’-Trihydroxyphenylvaleric acid metabolite	C₁₁H₁₄O₅ Mono mass: 226.084123551
PHUB001061 Score: 0.96	5-(3',4'-dihydroxyphenyl)valeric acid metabolite	C₁₁H₁₄O₄ Mono mass: 210.089208931
PHUB001994 Score: 0.933	5-(3',5'-dihydroxyphenyl)valeric acid 74356-41-5 metabolite	C₁₁H₁₄O₄ Mono mass: 210.089208931
PHUB001380 Score: 0.921	5-(3,5-dihydroxyphenyl)pentanoic acid 74356-41-5 metabolite	C₁₂H₁₆O₄ Mono mass: 224.104858995
PHUB002921 Score: 0.921	5-(2-Carboxynonadecyl)-resorcinol metabolite	C₂₅H₄₂O₄ Mono mass: 406.308309832
PHUB001063 Score: 0.893	5-(3'-hydroxyphenyl)valeric acid metabolite	C₁₁H₁₄O₃ Mono mass: 194.094294311
PHUB001835 Score: 0.84	4'-Hydroxyphenylvaleric acid metabolite	C₁₁H₁₄O₃ Mono mass: 194.094294311
PHUB001987 Score: 0.818	4-hydroxy-5-(3',4'-dihydroxyphenyl)valeric acid metabolite	C₁₁H₁₄O₅ Mono mass: 226.084123551
PHUB002925 Score: 0.798	5-(Nona-10Z,13Z-decadienyl)-resorcinol precursor	C₂₅H₃₈O₄ Mono mass: 402.277009704
PHUB001749 Score: 0.761	5-(3'-Hydroxyphenyl)-gamma-hydroxyvaleric acid metabolite	C₁₁H₁₄O₄ Mono mass: 210.089208931
PHUB002781 Score: 0.758	4-Hydroxy-5-(3'-hydroxy- 4'-methoxyphenyl)valeric acid metabolite	C₁₂H₁₆O₅ Mono mass: 240.099773615
PHUB002783 Score: 0.758	4-Hydroxy-5-(4'-hydroxy- 3'-methoxyphenyl)valeric acid metabolite	C₁₂H₁₆O₅ Mono mass: 240.099773615
PHUB000604 Score: 0.744	Dihydrocaffeic acid 1078-61-1 precursor metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB001046 Score: 0.744	3-(3',4'-Dihydroxyphenyl)propionic acid metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB002928 Score: 0.726	5-n-(2'-oxoheneicosyl)resorcinol precursor	C₂₇H₄₆O₃ Mono mass: 418.344695341
PHUB001381 Score: 0.72	3-(3,5-Dihydroxyphenyl)propanoic acid 26539-01-5 metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB001833 Score: 0.714	5-(3’,4’,5’-trihydroxyphenyl)-gamma-valerolactone metabolite	C₁₁H₁₂O₅ Mono mass: 224.068473486
PHUB000552 Score: 0.711	5-Heneicosylresorcinol 70110-59-7 precursor	C₂₇H₄₈O₂ Mono mass: 404.365430786
PHUB000554 Score: 0.711	5-Heptadecylresorcinol 41442-57-3 precursor	C₂₃H₄₀O₂ Mono mass: 348.302830528
PHUB000556 Score: 0.711	5-Nonadecylresorcinol 35176-46-6 precursor	C₂₅H₄₄O₂ Mono mass: 376.334130657
PHUB000560 Score: 0.711	5-Pentacosylresorcinol 70110-61-1 precursor	C₃₁H₅₆O₂ Mono mass: 460.428031043
PHUB000561 Score: 0.711	5-Pentadecylresorcinol 3158-56-3 precursor	C₂₁H₃₆O₂ Mono mass: 320.271530399
PHUB000564 Score: 0.711	5-Tricosylresorcinol 70110-60-0 precursor	C₂₉H₅₂O₂ Mono mass: 432.396730914
PHUB001379 Score: 0.711	Alkenylresorcinol C19:0 precursor	C₂₅H₄₄O₂ Mono mass: 376.334130657
PHUB002317 Score: 0.711	5-Eicosylresorcinol 64645-61-0 precursor	C₂₆H₄₆O₂ Mono mass: 390.349780721
PHUB002318 Score: 0.711	5-Octadecylresorcinol precursor	C₂₄H₄₂O₂ Mono mass: 362.318480592
PHUB002400 Score: 0.711	5-hexadecyl-1,3-Benzenediol 84765-48-0 metabolite	C₂₂H₃₈O₂ Mono mass: 334.287180464
PHUB002898 Score: 0.711	5-n-docosylresorcinol 64645-62-1 precursor	C₂₈H₅₀O₂ Mono mass: 418.381080833
PHUB002900 Score: 0.711	5-Tetracosylresorcinol precursor	C₃₀H₅₄O₂ Mono mass: 446.412380961
PHUB002901 Score: 0.711	5-n-Hexacosylresorcinol precursor	C₃₂H₅₈O₂ Mono mass: 474.443681108
PHUB002953 Score: 0.711	5-Heptacosylresorcinol precursor	C₃₃H₆₀O₂ Mono mass: 488.45933115
PHUB002954 Score: 0.711	5-Nonacosylresorcinol precursor	C₃₅H₆₄O₂ Mono mass: 516.49063128