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Mrv2104 02212418372D

24 26  0  0  0  0            999 V2000
    3.6914    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4059    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1204    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1204   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4059   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6914   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9770   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9770   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2625   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2625   -3.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5480   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8335   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1191   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1191   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8335   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5480   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2625   -0.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5954   -0.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3099   -1.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0243   -1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8974   -1.8145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7224   -0.3855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8335   -3.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8348    0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  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
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 12 23  1  0  0  0  0
  3 24  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 36 results

PHUB003028 Score: 1.0	Apigenin 7-O-sulfate metabolite	C₁₅H₁₀O₈S Mono mass: 350.009638456
PHUB003030 Score: 0.922	Baicalein-7-O-sulfate metabolite	C₁₅H₁₀O₈S Mono mass: 350.009638456
PHUB001580 Score: 0.875	Quercetin 7-O-sulfate metabolite	C₁₅H₁₀O₁₀S Mono mass: 381.999467696
PHUB002987 Score: 0.849	Luteolin-3'-O-Sulfate metabolite	C₁₅H₁₀O₉S Mono mass: 366.004553076
PHUB001874 Score: 0.832	Quercetin disulfate metabolite	C₁₅H₁₀O₁₃S₂ Mono mass: 461.95628273
PHUB001871 Score: 0.807	Quercetin 4'-O-sulfate metabolite	C₁₅H₁₀O₁₀S Mono mass: 381.999467696
PHUB001316 Score: 0.789	Quercetin 3'-O-sulfate metabolite	C₁₅H₁₀O₁₀S Mono mass: 381.999467696
PHUB000861 Score: 0.786	Apigenin 520-36-5 precursor metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB002128 Score: 0.775	Genistein 7-O-sulfate metabolite	C₁₅H₁₀O₈S Mono mass: 350.009638456
PHUB002601 Score: 0.775	Genistein-4',7-disulfate metabolite	C₁₅H₁₀O₁₁S₂ Mono mass: 429.96645349
PHUB000870 Score: 0.773	Chrysin precursor	C₁₅H₁₀O₄ Mono mass: 254.057908802
PHUB000905 Score: 0.764	Scutellarein precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000892 Score: 0.753	Luteolin 491-70-3 precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000868 Score: 0.752	Baicalein precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000860 Score: 0.747	7,4'-Dihydroxyflavone precursor	C₁₅H₁₀O₄ Mono mass: 254.057908802
PHUB000857 Score: 0.743	6-Hydroxyluteolin precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000862 Score: 0.738	Apigenin 7,4'-dimethyl ether precursor	C₁₇H₁₄O₅ Mono mass: 298.084123551
PHUB002129 Score: 0.734	Genistein 4'-O-sulfate metabolite	C₁₅H₁₀O₈S Mono mass: 350.009638456
PHUB000672 Score: 0.734	Kaempferol precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000693 Score: 0.733	Morin precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000886 Score: 0.728	Hispidulin precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000880 Score: 0.726	Diosmetin precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB001880 Score: 0.726	Tectochrysin 520-28-5 precursor	C₁₆H₁₂O₄ Mono mass: 268.073558866
PHUB000859 Score: 0.722	7,3',4'-Trihydroxyflavone precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000658 Score: 0.722	Galangin precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000652 Score: 0.722	6,8-Dihydroxykaempferol precursor	C₁₅H₁₀O₈ Mono mass: 318.037567282
PHUB002780 Score: 0.722	Herbacetin 527-95-7 precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB001355 Score: 0.717	Daidzein 7-O-sulfate metabolite	C₁₅H₁₀O₇S Mono mass: 334.014723836
PHUB000871 Score: 0.713	Chrysoeriol precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000671 Score: 0.713	Kaempferide precursor	C₁₆H₁₁O₆ Mono mass: 299.056111654