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Genistin
  Mrv2104 06072104202D

31 34  0  0  1  0            999 V2000
   -1.4289    2.0492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -0.0133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4258    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -1.2508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.6633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.7258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.7258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.6633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.2508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.6633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -3.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -4.1383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.0133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -0.4258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289    1.2242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2242    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    2.0492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  2  0  0  0  0
  7 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 19 25  1  0  0  0  0
  5 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  0  0  0  0
  3 30  1  0  0  0  0
 30 31  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 90 results

PHUB000226 Score: 1.0	Genistin precursor	C₂₁H₂₀O₁₀ Mono mass: 432.105646844
PHUB003034 Score: 1.0	Sissotrin 5928-26-7 precursor	C₂₂H₂₂O₁₀ Mono mass: 446.121296908
PHUB000223 Score: 0.949	Daidzin precursor	C₂₁H₂₀O₉ Mono mass: 416.110732224
PHUB003033 Score: 0.949	Ononin 486-62-4 precursor	C₂₂H₂₂O₉ Mono mass: 430.126382288
PHUB000215 Score: 0.938	6''-O-Acetylgenistin precursor	C₂₃H₂₂O₁₁ Mono mass: 474.116211528
PHUB000218 Score: 0.912	6''-O-Malonylgenistin precursor	C₂₄H₂₂O₁₃ Mono mass: 518.106040768
PHUB001359 Score: 0.912	Biochanin A-7-O-glucuronide metabolite	C₂₂H₂₀O₁₁ Mono mass: 460.100561464
PHUB001367 Score: 0.912	Genistein 7-O-glucuronide metabolite	C₂₁H₁₈O₁₁ Mono mass: 446.0849114
PHUB002125 Score: 0.912	Genistein 4',7-diglucuronide metabolite	C₂₇H₂₆O₁₇ Mono mass: 622.116999377
PHUB000214 Score: 0.891	6''-O-Acetyldaidzin precursor	C₂₃H₂₂O₁₀ Mono mass: 458.121296908
PHUB002127 Score: 0.88	Genistein 4'-O-glucuronide metabolite	C₂₁H₁₈O₁₁ Mono mass: 446.0849114
PHUB001353 Score: 0.876	Daidzein 7-O-glucuronide metabolite	C₂₁H₁₈O₁₀ Mono mass: 430.08999678
PHUB002130 Score: 0.876	Daidzein-4',7-diglucuronide metabolite	C₂₇H₂₆O₁₆ Mono mass: 606.122084757
PHUB000228 Score: 0.868	Glycitin precursor	C₂₂H₂₂O₁₀ Mono mass: 446.121296908
PHUB000217 Score: 0.866	6''-O-Malonyldaidzin precursor	C₂₄H₂₂O₁₂ Mono mass: 502.111126148
PHUB001354 Score: 0.857	Daidzein 4'-O-glucuronide metabolite	C₂₁H₁₈O₁₀ Mono mass: 430.08999678
PHUB002126 Score: 0.843	Genistein-7-O-glucuronide-4'-sulfate metabolite	C₂₁H₁₇O₁₄S Mono mass: 525.034449981
PHUB000865 Score: 0.833	Apigenin 7-O-glucoside precursor	C₂₁H₂₀O₁₀ Mono mass: 432.105646844
PHUB000888 Score: 0.826	Isorhoifolin precursor	C₂₇H₃₀O₁₄ Mono mass: 578.163555646
PHUB001923 Score: 0.826	Apigenin 7-O-rutinoside 552-57-8 precursor	C₂₇H₃₀O₁₄ Mono mass: 578.163555646
PHUB000216 Score: 0.819	6''-O-Acetylglycitin precursor	C₂₄H₂₄O₁₁ Mono mass: 488.131861593
PHUB000903 Score: 0.818	Rhoifolin precursor	C₂₇H₃₀O₁₄ Mono mass: 578.163555646
PHUB000904 Score: 0.818	Rhoifolin 4'-O-glucoside precursor	C₃₃H₄₀O₁₉ Mono mass: 740.216379068
PHUB002131 Score: 0.813	Daidzein-7-glucuronide-4'-sulfate metabolite	C₂₁H₁₈O₁₃S Mono mass: 510.046811814
PHUB000896 Score: 0.812	Luteolin 7-O-glucoside 5373-11-5 precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000867 Score: 0.811	Apiin 26544-34-3 precursor	C₂₆H₂₈O₁₄ Mono mass: 564.147905582
PHUB000876 Score: 0.809	Chrysoeriol 7-O-glucoside precursor	C₂₂H₂₂O₁₁ Mono mass: 462.116211528
PHUB000899 Score: 0.804	Luteolin 7-O-rutinoside 25694-72-8 precursor	C₂₇H₃₀O₁₅ Mono mass: 594.158470266
PHUB000219 Score: 0.802	6''-O-Malonylglycitin precursor	C₂₅H₂₄O₁₃ Mono mass: 532.121690833
PHUB000881 Score: 0.801	Diosmin precursor	C₂₈H₃₂O₁₅ Mono mass: 608.17412033
PHUB000691 Score: 0.796	Kaempferol 7-O-glucoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464