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Mrv2104 06072104352D

34 38  0  0  1  0            999 V2000
   10.3682   -9.4555    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3682   -8.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6807   -9.8405    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2781   -9.8405    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9655   -9.4555    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0833   -8.2179    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7708   -8.6304    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6807  -10.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9655   -8.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0833   -9.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5629   -9.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9655  -11.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0833   -7.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7708   -9.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4860   -8.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8479   -9.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4860   -7.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7708   -7.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7708   -7.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3000   -6.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2387   -6.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6807   -8.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2761  -11.3783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8490  -10.6657    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2770  -10.6657    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0467  -11.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0890  -11.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5628  -11.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0761   -9.0429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3750  -10.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2711   -9.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6738   -9.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9724  -10.2805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1347  -11.0786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
 10  1  1  0  0  0  0
  6  2  1  0  0  0  0
  5  3  1  0  0  0  0
  8  3  1  0  0  0  0
  5  4  1  0  0  0  0
 11  4  1  0  0  0  0
  9  5  1  0  0  0  0
 13  6  1  0  0  0  0
  7  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
  7 18  1  1  0  0  0
 12  8  1  0  0  0  0
 14 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 13  1  0  0  0  0
 17 19  1  0  0  0  0
 22  2  2  0  0  0  0
  9 22  1  0  0  0  0
 25 23  1  6  0  0  0
 28 26  1  0  0  0  0
 28 27  1  0  0  0  0
 24 28  1  0  0  0  0
 28 25  1  0  0  0  0
 25  4  1  0  0  0  0
 12 25  1  0  0  0  0
 16 24  1  0  0  0  0
  6 29  1  1  0  0  0
  1 30  1  6  0  0  0
  4 31  1  1  0  0  0
  3 32  1  1  0  0  0
  5 33  1  6  0  0  0
 24 34  1  1  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 38 results

PHUB002077 Score: 1.0	Amyrin-(beta) 559-70-6 precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB000166 Score: 0.964	Erythrodiol precursor	C₃₀H₅₀O₂ Mono mass: 442.38108085
PHUB000194 Score: 0.964	Uvaol precursor	C₃₀H₅₀O₂ Mono mass: 442.38108085
PHUB000482 Score: 0.898	Citrostadienol precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB000108 Score: 0.895	Cadinol precursor	C₁₅H₂₆O Mono mass: 222.198365457
PHUB000469 Score: 0.881	Avenasterol (delta7-) precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB000480 Score: 0.881	Spinasterol-alpha precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB002075 Score: 0.875	Akhdarenol precursor	C₂₀H₃₂O Mono mass: 288.24531565
PHUB000162 Score: 0.841	Barringtogenol C precursor	C₃₀H₅₀O₅ Mono mass: 490.36582471
PHUB000090 Score: 0.789	Terpineol-alpha precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000468 Score: 0.785	Avenasterol (delta5-) precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB000470 Score: 0.785	Brassicasterol precursor	C₂₈H₄₆O Mono mass: 398.354866101
PHUB000472 Score: 0.785	Campesterol 474-62-4 precursor	C₂₈H₄₈O Mono mass: 400.370516166
PHUB000473 Score: 0.785	Clerosterol precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB000475 Score: 0.785	Dihydrobrassicasterol precursor	C₂₈H₄₈O Mono mass: 400.370516166
PHUB000477 Score: 0.785	Fucosterol precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB000479 Score: 0.785	Sitosterol-beta 83-46-5 precursor	C₂₉H₅₀O Mono mass: 414.38616623
PHUB000481 Score: 0.785	Stigmasterol precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB001459 Score: 0.785	delta-5,24-Stigmastadienol precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB001740 Score: 0.785	Sitosterol 83-46-5 precursor	C₂₉H₅₀O Mono mass: 414.38616623
PHUB000991 Score: 0.78	Limonene-8,9-diol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001026 Score: 0.766	Verbenol (trans-) metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB001824 Score: 0.766	Verbenol (cis-) 13040-03-4 metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000110 Score: 0.754	Capsidiol precursor	C₁₅H₂₄O₂ Mono mass: 236.177630013
PHUB000181 Score: 0.746	Oleanolic acid precursor metabolite	C₃₀H₄₈O₃ Mono mass: 456.360345406
PHUB001027 Score: 0.746	Myrtenol metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000966 Score: 0.741	3-Carene-9-ol metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000190 Score: 0.736	Ursolic acid precursor	C₃₀H₄₈O₃ Mono mass: 456.360345406
PHUB001848 Score: 0.734	Limonene-8,9-epoxide 184488-93-5 metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB002627 Score: 0.734	8,9-epoxy-p-menth-1ene metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB003063 Score: 0.731	Z-4-Hydroxymyrtenol metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB003064 Score: 0.731	E-4-Hydroxymyrtenol metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755