Chemical Structure Search

Search by chemical structure

Kievitone
  Mrv2104 06072104322D

26 28  0  0  1  0            999 V2000
    5.1955    0.5095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1859   -2.0225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7435   -1.9939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3145    0.4810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9366   -2.4236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7944   -2.4347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9429   -0.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9429    0.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4579   -0.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1955   -1.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4579    0.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6557   -1.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7435    0.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7435   -1.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7435    1.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0290    0.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6526   -2.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0290   -0.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3718   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0290    1.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3655   -2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0847   -1.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0815   -2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0290    2.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3145    2.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7435    2.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  2  0  0  0  0
  3 14  1  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  2  0  0  0  0
 11 13  2  0  0  0  0
 12 17  2  0  0  0  0
 12 19  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
 16 18  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 24  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END

Search Options

Similarity

Substructure

Exact

Similarity threshold

Minimum Weight

Maximum Weight

Maximum Results

Filter Entry Types (default all):
PrecursorsMetabolites

Load example MarvinJS Tutorials

(+)-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

PHUB001768 Score: 1.0	Kievitone precursor	C₂₀H₂₀O₆ Mono mass: 356.125988364
PHUB001361 Score: 0.806	2,3-Dihydrobiochanin A metabolite	C₁₆H₁₄O₅ Mono mass: 286.084123551
PHUB001366 Score: 0.806	Dihydrogenistein metabolite	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB001356 Score: 0.8	Dihydrodaidzein metabolite	C₁₅H₁₂O₄ Mono mass: 256.073558866
PHUB001364 Score: 0.8	Dihydroformononetin metabolite	C₁₆H₁₄O₄ Mono mass: 270.089208931
PHUB001713 Score: 0.747	Cyclokievitone precursor	C₂₀H₁₈O₆ Mono mass: 354.1103383
PHUB000384 Score: 0.729	Isoxanthohumol 70872-29-6 precursor metabolite	C₂₁H₂₂O₅ Mono mass: 354.146723808
PHUB000401 Score: 0.722	Glabranin precursor	C₂₀H₂₀O₄ Mono mass: 324.136159124
PHUB000373 Score: 0.718	8-Prenylnaringenin precursor metabolite	C₂₀H₂₀O₅ Mono mass: 340.131073744
PHUB000374 Score: 0.718	6,8-Diprenylnaringenin precursor	C₂₅H₂₈O₅ Mono mass: 408.193674002
PHUB000372 Score: 0.707	6-Prenylnaringenin 68236-13-5 precursor metabolite	C₂₀H₂₀O₅ Mono mass: 340.131073744