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Scopoletin
  Mrv2104 06072104202D

14 15  0  0  0  0            999 V2000
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  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
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
  3 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 — 30 of approximately 40 results

PHUB000246 Score: 1.0	Scopoletin precursor	C₁₀H₈O₄ Mono mass: 192.042258738
PHUB000245 Score: 0.957	Scoparone precursor	C₁₁H₁₀O₄ Mono mass: 206.057908802
PHUB000239 Score: 0.922	Esculetin precursor	C₉H₆O₄ Mono mass: 178.026608673
PHUB000257 Score: 0.871	Herniarin precursor	C₁₀H₈O₃ Mono mass: 176.047344118
PHUB001935 Score: 0.857	isourolithin C metabolite	C₁₃H₈O₅ Mono mass: 244.037173358
PHUB001943 Score: 0.845	3,10-Dihydroxyurolithin metabolite	C₁₃H₈O₄ Mono mass: 228.042258738
PHUB000250 Score: 0.844	Umbelliferone precursor metabolite	C₉H₆O₃ Mono mass: 162.031694053
PHUB001396 Score: 0.837	Urolithin C 165393-06-6 metabolite	C₁₃H₈O₅ Mono mass: 244.037173358
PHUB001927 Score: 0.832	Urolithin M6 1006683-97-1 metabolite	C₁₃H₈O₆ Mono mass: 260.032087978
PHUB001391 Score: 0.825	Urolithin A 1143-70-0 metabolite	C₁₃H₈O₄ Mono mass: 228.042258738
PHUB001647 Score: 0.821	Isourolithin A 174023-48-4 metabolite	C₁₃H₈O₄ Mono mass: 228.042258738
PHUB001931 Score: 0.82	Urolithin M7 531512-26-2 metabolite	C₁₃H₈O₅ Mono mass: 244.037173358
PHUB001394 Score: 0.819	Urolithin B 1139-83-9 metabolite	C₁₃H₈O₃ Mono mass: 212.047344118
PHUB001946 Score: 0.816	9,10-Dihydroxyurolithin metabolite	C₁₃H₈O₄ Mono mass: 228.042258738
PHUB001947 Score: 0.796	8,9-Dihydroxyurolithin metabolite	C₁₃H₈O₄ Mono mass: 228.042258738
PHUB001938 Score: 0.792	8,9,10-Trihydroxyurolithin metabolite	C₁₃H₈O₅ Mono mass: 244.037173358
PHUB001945 Score: 0.786	3,4-Dihydroxyurolithin metabolite	C₁₃H₈O₄ Mono mass: 228.042258738
PHUB001939 Score: 0.785	3,4,10-Trihydroxyurolithin metabolite	C₁₃H₈O₅ Mono mass: 244.037173358
PHUB001649 Score: 0.779	Isourolithin B metabolite	C₁₃H₈O₃ Mono mass: 212.047344118
PHUB001936 Score: 0.779	3,4,9-Trihydroxyurolithin metabolite	C₁₃H₈O₅ Mono mass: 244.037173358
PHUB000237 Score: 0.778	Bergapten precursor	C₁₂H₈O₄ Mono mass: 216.042258738
PHUB001930 Score: 0.778	Urolithin F metabolite	C₁₃H₈O₆ Mono mass: 260.032087978
PHUB001937 Score: 0.774	Urolithin G metabolite	C₁₃H₈O₅ Mono mass: 244.037173358
PHUB001948 Score: 0.773	Urolithin BR metabolite	C₁₃H₈O₃ Mono mass: 212.047344118
PHUB001928 Score: 0.771	Urolithin E metabolite	C₁₃H₈O₆ Mono mass: 260.032087978
PHUB001942 Score: 0.77	8,10-Dihydroxyurolithin metabolite	C₁₃H₈O₄ Mono mass: 228.042258738
PHUB001398 Score: 0.766	Urolithin D 131086-98-1 metabolite	C₁₃H₈O₆ Mono mass: 260.032087978
PHUB001949 Score: 0.764	Urolithin M5 metabolite	C₁₃H₈O₇ Mono mass: 276.027002598
PHUB000259 Score: 0.762	Bergaptol precursor	C₁₁H₆O₄ Mono mass: 202.026608673
PHUB000243 Score: 0.744	Pimpinellin precursor	C₁₃H₁₀O₅ Mono mass: 246.052823422