Chemical Structure Search

Search by chemical structure

Mrv2104 06072104342D

24 26  0  0  0  0            999 V2000
    7.1447    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0012    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0012    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  2  0  0  0  0
 10  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 11  8  2  0  0  0  0
 12  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 14 12  2  0  0  0  0
 15  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  2  0  0  0  0
 18 13  1  0  0  0  0
 18 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 10  1  0  0  0  0
 20 13  2  0  0  0  0
 21  1  1  0  0  0  0
 21 11  1  0  0  0  0
 22  2  1  0  0  0  0
 22 14  1  0  0  0  0
 23  3  1  0  0  0  0
 23 16  1  0  0  0  0
 24 15  1  0  0  0  0
 24 17  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 — 30 of approximately 51 results

PHUB001878 Score: 1.0	Cerasinone 64166-14-9 precursor	C₁₈H₁₈O₆ Mono mass: 330.1103383
PHUB000398 Score: 0.945	Sakuranetin precursor	C₁₆H₁₄O₅ Mono mass: 286.084123551
PHUB000382 Score: 0.938	Isosakuranetin precursor	C₁₆H₁₄O₅ Mono mass: 286.084123551
PHUB000387 Score: 0.938	Naringenin precursor metabolite	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB000386 Score: 0.931	Liquiritigenin precursor	C₁₅H₁₂O₄ Mono mass: 256.073558866
PHUB000396 Score: 0.931	Pinocembrin precursor	C₁₅H₁₂O₄ Mono mass: 256.073558866
PHUB000378 Score: 0.877	Eriodictyol precursor metabolite	C₁₅H₁₂O₆ Mono mass: 288.063388106
PHUB000380 Score: 0.877	Hesperetin 520-33-2 precursor metabolite	C₁₆H₁₄O₆ Mono mass: 302.079038171
PHUB000399 Score: 0.871	Butin precursor	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB001105 Score: 0.866	Homoeriodictyol metabolite	C₁₆H₁₄O₆ Mono mass: 302.079038171
PHUB000400 Score: 0.849	Garbanzol precursor	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB000375 Score: 0.833	Betagarin precursor	C₁₈H₁₆O₆ Mono mass: 328.094688235
PHUB002144 Score: 0.814	Naringenin-4'-sulfate metabolite	C₁₅H₁₂O₈S Mono mass: 352.02528852
PHUB000384 Score: 0.813	Isoxanthohumol 70872-29-6 precursor metabolite	C₂₁H₂₂O₅ Mono mass: 354.146723808
PHUB000372 Score: 0.811	6-Prenylnaringenin 68236-13-5 precursor metabolite	C₂₀H₂₀O₅ Mono mass: 340.131073744
PHUB000373 Score: 0.801	8-Prenylnaringenin precursor metabolite	C₂₀H₂₀O₅ Mono mass: 340.131073744
PHUB000374 Score: 0.801	6,8-Diprenylnaringenin precursor	C₂₅H₂₈O₅ Mono mass: 408.193674002
PHUB001146 Score: 0.8	Tamarixetin metabolite	C₁₆H₁₄O₇ Mono mass: 318.073952791
PHUB001756 Score: 0.8	Taxifolin 480-18-2 precursor	C₁₅H₁₂O₇ Mono mass: 304.058302726
PHUB001762 Score: 0.8	Dihydroquercetin precursor	C₁₅H₁₂O₇ Mono mass: 304.058302726
PHUB002143 Score: 0.8	Naringenin-7- sulfate metabolite	C₁₅H₁₂O₈S Mono mass: 352.02528852
PHUB000401 Score: 0.795	Glabranin precursor	C₂₀H₂₀O₄ Mono mass: 324.136159124
PHUB000371 Score: 0.765	6-Geranylnaringenin precursor	C₂₅H₂₈O₅ Mono mass: 408.193674002
PHUB002141 Score: 0.756	Hesperetin-7-sulfate metabolite	C₁₆H₁₄O₉S Mono mass: 382.035853205
PHUB000383 Score: 0.746	Isosakuranin precursor	C₂₂H₂₄O₁₀ Mono mass: 448.136946973
PHUB000388 Score: 0.746	Prunin precursor	C₂₁H₂₂O₁₀ Mono mass: 434.121296908
PHUB001595 Score: 0.746	Naringenin-7-glucoside 529-55-5 precursor	C₂₁H₂₂O₁₀ Mono mass: 434.121296908
PHUB000390 Score: 0.745	Naringenin 4'-O-glucoside precursor	C₂₁H₂₂O₁₀ Mono mass: 434.121296908
PHUB000385 Score: 0.739	Liquiritin precursor	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB000376 Score: 0.738	Didymin precursor	C₂₈H₃₄O₁₄ Mono mass: 594.194855775