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Mrv2104 06072104362D

22 24  0  0  1  0            999 V2000
   19.6537  -13.4606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5440  -15.0428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5105  -13.0481    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.2248  -12.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5105  -13.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9392  -13.0481    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.7731  -14.3141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.2248  -14.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7731  -12.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9392  -13.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2116  -11.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6899  -12.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0256  -13.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6966  -11.7708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.0256  -13.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5105  -12.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9524  -11.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3689  -15.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1937  -15.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5215  -11.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1117  -11.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7021  -10.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  1  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  1  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  6  0  0  0
  8 10  1  0  0  0  0
  9 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 20  1  1  0  0  0
 14 21  1  0  0  0  0
 21 22  2  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 — 15 of approximately 15 results

PHUB002074 Score: 1.0	Akhdardiol precursor	C₂₀H₃₄O₂ Mono mass: 306.255880335
PHUB002076 Score: 0.951	Akhdartriol precursor	C₂₀H₃₄O₃ Mono mass: 322.250794955
PHUB000972 Score: 0.833	Dihydrocarveol metabolite	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000990 Score: 0.8	Limonene-1,2-diol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001847 Score: 0.8	Limonene-1,2-glycol	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000174 Score: 0.787	lupeol precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB000012 Score: 0.771	Betulin precursor	C₃₀H₅₀O₂ Mono mass: 442.38108085
PHUB000960 Score: 0.771	7-Hydroxycamphene metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB001811 Score: 0.75	Isopulegol 89-79-2 metabolite	C₁₀H₁₈O Mono mass: 154.1357652
PHUB002706 Score: 0.739	Pinocarveol 5947-36-4 precursor	C₁₀H₁₆O Mono mass: 152.120115135
PHUB003069 Score: 0.739	E-Pinocarveol 5947-36-4 metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000025 Score: 0.732	3,7-dimethylocta-1-en-3,7-diol metabolite	C₁₀H₂₀O₂ Mono mass: 172.146329884
PHUB000053 Score: 0.732	Linalool (8-hydroxydihydro-) precursor	C₁₀H₂₀O₂ Mono mass: 172.146329884
PHUB000959 Score: 0.729	6-exo-Hydroxycamphene metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000956 Score: 0.704	Protopanaxatriol 1453-93-6 precursor metabolite	C₃₀H₅₂O₄ Mono mass: 476.386560154
PHUB002101 Score: 0.704	Protopanaxadiol precursor metabolite	C₃₀H₅₂O₃ Mono mass: 460.391645534