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Mrv2104 06072104292D

14 14  0  0  0  0            999 V2000
10017.751910017.8102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10020.611110019.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10021.325110019.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10022.041210019.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10022.755310019.0478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10022.041210020.2858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10019.896910019.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10019.182510019.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10018.467910019.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10018.467910018.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10019.182310017.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10019.896910018.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10019.182210016.9835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10019.898110016.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  7  8  2  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
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  1 10  1  0  0  0  0
  7  2  1  0  0  0  0
  2  3  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  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 — 27 of approximately 27 results

PHUB001168 Score: 1.0	Dihydroferulic acid 1135-23-5 metabolite	C₁₀H₁₂O₄ Mono mass: 196.073558866
PHUB002451 Score: 0.987	3',4'-Dimethoxyphenylpropanoic acid metabolite	C₁₁H₁₄O₄ Mono mass: 210.089208931
PHUB001433 Score: 0.974	Dihydroisoferulic acid metabolite	C₁₀H₁₂O₄ Mono mass: 196.073558866
PHUB002140 Score: 0.974	3-(3'-hydroxy-4'-methoxyphenyl)propanoic acid metabolite	C₁₀H₁₂O₄ Mono mass: 196.073558866
PHUB001589 Score: 0.909	3-(3'-Methoxyphenyl)propionic acid 1798-09-0 metabolite	C₁₀H₁₂O₃ Mono mass: 180.078644246
PHUB000604 Score: 0.883	Dihydrocaffeic acid 1078-61-1 precursor metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB001046 Score: 0.883	3-(3',4'-Dihydroxyphenyl)propionic acid metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB001153 Score: 0.865	3-(4'-Hydroxy-3'-methoxyphenyl)pyruvic acid 1081-71-6 metabolite	C₁₀H₁₀O₅ Mono mass: 210.052823422
PHUB002764 Score: 0.865	3-Methoxy,4-hydroxyphenyllactic acid metabolite	C₁₀H₁₂O₅ Mono mass: 212.068473486
PHUB002765 Score: 0.843	4-Methoxy,3-hydroxyphenyllactic acid metabolite	C₁₀H₁₂O₅ Mono mass: 212.068473486
PHUB001590 Score: 0.831	3-(4'-Methoxyphenyl)propionic acid 1929-29-9 metabolite	C₁₀H₁₂O₃ Mono mass: 180.078644246
PHUB001332 Score: 0.828	3-(3'-Methoxy-4'-hydroxyphenyl)hydracrylic acid metabolite	C₁₀H₁₂O₅ Mono mass: 212.068473486
PHUB001047 Score: 0.818	3-(3'-Hydroxyphenyl)propionic acid 621-54-5 metabolite	C₉H₁₀O₃ Mono mass: 166.062994182
PHUB001069 Score: 0.815	3-(3'-Hydroxy-4'-methoxyphenyl)hydracrylic acid metabolite	C₁₀H₁₂O₅ Mono mass: 212.068473486
PHUB001381 Score: 0.788	3-(3,5-Dihydroxyphenyl)propanoic acid 26539-01-5 metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB001982 Score: 0.775	2-hydroxy-3-(3',4'-dihydroxyphenyl)propanoic acid 23028-17-3 metabolite	C₉H₁₀O₅ Mono mass: 198.052823422
PHUB002763 Score: 0.775	3,4-dihydroxyphenyllactic acid metabolite	C₉H₁₀O₅ Mono mass: 198.052823422
PHUB000605 Score: 0.766	Phloretic acid 501-97-3 precursor metabolite	C₉H₁₀O₃ Mono mass: 166.062994182
PHUB001177 Score: 0.766	4-Hydroxyphenylpropionic acid 501-97-3 metabolite	C₉H₁₀O₃ Mono mass: 166.062994182
PHUB000627 Score: 0.753	Paradol ([6]-) precursor	C₁₇H₂₆O₃ Mono mass: 278.188194697
PHUB001148 Score: 0.748	5,5'-Dihydroferulic acid metabolite	C₂₀H₂₂O₈ Mono mass: 390.131467668
PHUB002608 Score: 0.734	Dihydrocaffeoyl-glycerol metabolite	C₁₄H₂₀O₄ Mono mass: 252.136159124
PHUB000617 Score: 0.733	Homovanillic acid 306-08-1 precursor metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB001920 Score: 0.733	3'-Methoxy-4'-hydroxyphenylacetic acid metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB002274 Score: 0.727	hexahydrocurcumin metabolite	C₂₁H₂₆O₆ Mono mass: 374.172938557
PHUB000618 Score: 0.724	Homoveratric acid metabolite	C₁₀H₁₂O₄ Mono mass: 196.073558866
PHUB000539 Score: 0.714	4-Ethylguaiacol precursor	C₉H₁₂O₂ Mono mass: 152.083729626
PHUB001440 Score: 0.713	Homovanillyl alcohol 2380-78-1 precursor	C₉H₁₂O₃ Mono mass: 168.078644246
PHUB001385 Score: 0.71	Secoisolariciresinol precursor	C₂₀H₂₆O₆ Mono mass: 362.172938557
PHUB002275 Score: 0.71	octahydrocurcumin metabolite	C₂₁H₂₈O₆ Mono mass: 376.188588622
PHUB002805 Score: 0.709	3’-hydroxy-4’-methoxyphenylacetic acid metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB000616 Score: 0.704	Gingerol ([6]-) precursor	C₁₇H₂₆O₄ Mono mass: 294.183109317