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Mrv2104 06072104362D

23 25  0  0  1  0            999 V2000
   22.0094  -12.0665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8480   -9.9782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8995  -13.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8660  -11.6541    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.5804  -11.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8660  -12.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2949  -11.6541    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.1286  -12.9201    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.5804  -12.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1286  -11.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2949  -12.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5672  -10.3824    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.0456  -11.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0522  -10.3767    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3810  -12.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3810  -11.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8660  -10.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3080   -9.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7244  -13.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5492  -13.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8772  -10.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4674   -9.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0578   -8.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
 12  2  1  6  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 17  1  1  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  6  0  0  0
  9 11  1  0  0  0  0
 10 16  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 21  1  1  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 22 23  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 — 11 of approximately 11 results

PHUB002076 Score: 1.0	Akhdartriol precursor	C₂₀H₃₄O₃ Mono mass: 322.250794955
PHUB002074 Score: 0.951	Akhdardiol precursor	C₂₀H₃₄O₂ Mono mass: 306.255880335
PHUB000972 Score: 0.795	Dihydrocarveol metabolite	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000990 Score: 0.766	Limonene-1,2-diol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001847 Score: 0.766	Limonene-1,2-glycol	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000174 Score: 0.755	lupeol precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB000012 Score: 0.74	Betulin precursor	C₃₀H₅₀O₂ Mono mass: 442.38108085
PHUB000960 Score: 0.74	7-Hydroxycamphene metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB001811 Score: 0.717	Isopulegol 89-79-2 metabolite	C₁₀H₁₈O Mono mass: 154.1357652
PHUB002706 Score: 0.708	Pinocarveol 5947-36-4 precursor	C₁₀H₁₆O Mono mass: 152.120115135
PHUB003069 Score: 0.708	E-Pinocarveol 5947-36-4 metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000959 Score: 0.7	6-exo-Hydroxycamphene metabolite	C₁₀H₁₆O Mono mass: 152.120115135