Chemical Structure Search

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Genistein
  Mrv2104 06072104202D

20 22  0  0  0  0            999 V2000
    4.5012   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7867   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7867   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0723   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3578   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3578   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0723   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6433   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6433   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2144   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5001    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2146   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9290    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2146   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5001   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5001   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2144   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  2  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 — 24 of approximately 24 results

PHUB000225 Score: 1.0	Genistein precursor metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000220 Score: 0.96	Biochanin A precursor	C₁₆H₁₂O₅ Mono mass: 284.068473486
PHUB000222 Score: 0.942	Daidzein precursor metabolite	C₁₅H₁₀O₄ Mono mass: 254.057908802
PHUB000230 Score: 0.923	Prunetin precursor	C₁₆H₁₂O₅ Mono mass: 284.068473486
PHUB002598 Score: 0.923	3'-Hydroxygenistein metabolite	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB002599 Score: 0.923	6-Hydroxygenistein metabolite	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000224 Score: 0.912	Formononetin precursor	C₁₆H₁₂O₄ Mono mass: 268.073558866
PHUB002600 Score: 0.896	8-hydroxy-genistein metabolite	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB003035 Score: 0.876	Pratensein 2284-31-3 precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB001771 Score: 0.869	4',6,7-Trihydroxyisoflavanone precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB001772 Score: 0.869	3',4',7-Trihydroxyisoflavanone precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB002120 Score: 0.869	6-Hydroxydaidzein 17817-31-1 metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB002122 Score: 0.869	3'-Hydroxydaidzein metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB001358 Score: 0.866	2'-Hydroxydaidzein precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB001773 Score: 0.85	4',7,8-Trihydroxyisoflavanone precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB002121 Score: 0.85	8-Hydroxydaidzein 75187-63-2 metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB001365 Score: 0.832	Calycosin 20575-57-9 precursor metabolite	C₁₆H₁₂O₅ Mono mass: 284.068473486
PHUB002129 Score: 0.822	Genistein 4'-O-sulfate metabolite	C₁₅H₁₀O₈S Mono mass: 350.009638456
PHUB000227 Score: 0.82	Glycitein precursor metabolite	C₁₆H₁₂O₅ Mono mass: 284.068473486
PHUB000232 Score: 0.809	Sayanedine precursor	C₁₇H₁₄O₅ Mono mass: 298.084123551
PHUB002128 Score: 0.784	Genistein 7-O-sulfate metabolite	C₁₅H₁₀O₈S Mono mass: 350.009638456
PHUB002601 Score: 0.784	Genistein-4',7-disulfate metabolite	C₁₅H₁₀O₁₁S₂ Mono mass: 429.96645349
PHUB002132 Score: 0.781	Daidzein 4'-O-sulfate metabolite	C₁₅H₁₀O₇S Mono mass: 334.014723836
PHUB001355 Score: 0.765	Daidzein 7-O-sulfate metabolite	C₁₅H₁₀O₇S Mono mass: 334.014723836
PHUB003036 Score: 0.755	Pseudobaptigenin 90-29-9 precursor	C₁₆H₁₀O₅ Mono mass: 282.052823422
PHUB000229 Score: 0.755	Licoisoflavone A precursor	C₂₀H₁₈O₆ Mono mass: 354.1103383
PHUB000861 Score: 0.709	Apigenin 520-36-5 precursor metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422