Chemical Structure Search

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Verbenol
  Mrv2104 06072104282D

11 12  0  0  1  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    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
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    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    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  4  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  3  1  0  0  0  0
  7  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  5  2  0  0  0  0
  3 10  1  0  0  0  0
  2 10  1  0  0  0  0
  1 11  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 — 21 of approximately 21 results

PHUB001026 Score: 1.0	Verbenol (trans-) metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000970 Score: 0.818	Carveol metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB001027 Score: 0.803	Myrtenol metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000110 Score: 0.803	Capsidiol precursor	C₁₅H₂₄O₂ Mono mass: 236.177630013
PHUB002632 Score: 0.785	p-menth-2,8-dien-1-ol metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000108 Score: 0.769	Cadinol precursor	C₁₅H₂₆O Mono mass: 222.198365457
PHUB002077 Score: 0.766	Amyrin-(beta) 559-70-6 precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB000355 Score: 0.753	Cryptoxanthin-alpha precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000360 Score: 0.753	Lactucaxanthin precursor	C₄₀H₅₆O₂ Mono mass: 568.428031043
PHUB000166 Score: 0.742	Erythrodiol precursor	C₃₀H₅₀O₂ Mono mass: 442.38108085
PHUB000194 Score: 0.742	Uvaol precursor	C₃₀H₅₀O₂ Mono mass: 442.38108085
PHUB000075 Score: 0.73	Perillyl alcohol metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000090 Score: 0.73	Terpineol-alpha precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB001022 Score: 0.73	Perillyl aldehyde metabolite 1 metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000482 Score: 0.725	Citrostadienol precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB000991 Score: 0.723	Limonene-8,9-diol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB002075 Score: 0.723	Akhdarenol precursor	C₂₀H₃₂O Mono mass: 288.24531565
PHUB000150 Score: 0.722	Theaspirane precursor	C₁₃H₂₂O Mono mass: 194.167065328
PHUB000993 Score: 0.714	Limonene-10-ol metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000469 Score: 0.71	Avenasterol (delta7-) precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB000480 Score: 0.71	Spinasterol-alpha precursor	C₂₉H₄₈O Mono mass: 412.370516166