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Mrv2104 09302317372D

11 13  0  0  0  0            999 V2000
   10.0598   -7.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0598   -7.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3453   -6.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3453   -8.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6309   -7.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6309   -7.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3553   -7.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8562   -7.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3095   -8.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3553   -5.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6496   -6.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11  3  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 — 18 of approximately 18 results

PHUB003066 Score: 1.0	Pinene oxide (alpha-) 1686-14-2 metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000034 Score: 0.809	Cineol (1,8-) precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB001840 Score: 0.809	1,8-cineole precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB001797 Score: 0.761	1,4-cineole precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB001796 Score: 0.75	9-hydroxy-1,8-cineol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001843 Score: 0.75	9-hydroxy-1,8-cineole metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB003057 Score: 0.75	7-hydroxy-1,8-cineole 135521-14-1 metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001832 Score: 0.745	(-)-caryophyllene-5,6-oxide-2,12-diol metabolite	C₁₄H₂₄O₃ Mono mass: 240.172544633
PHUB001795 Score: 0.745	3-hydroxy-1,8-cineol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001842 Score: 0.745	3-hydroxy-1,8-cineole metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB003050 Score: 0.745	3-alpha-hydroxy-1,8-cineole metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB003051 Score: 0.745	3-beta-hydroxy-1,8-cineole metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001846 Score: 0.729	Limonene-1,2-epoxide metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB001801 Score: 0.714	9-hydroxy-1,4-cineol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB003046 Score: 0.71	2,3-epoxy-1,8-cineole metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB001794 Score: 0.709	2-hydroxy-1,8-cineol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001841 Score: 0.709	2-hydroxy-1,8-cineole 60761-00-4 metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB003047 Score: 0.709	2-alpha-hydroxy-1,8-cineole metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB003048 Score: 0.709	2-beta-hydroxy-1,8-cineole metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB003053 Score: 0.709	4-hydroxy-1,8-cineole metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000929 Score: 0.702	Caryophyllene-5,6-oxide-2,12-glycol metabolite	C₁₅H₂₆O₃ Mono mass: 254.188194697