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6&quot;-O-Malonylgenistin
  Mrv2104 06072104202D

37 40  0  0  1  0            999 V2000
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7157    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 10 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  2  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 22 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 20 32  1  0  0  0  0
 32 33  1  0  0  0  0
 26 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
  2 37  1  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 — 30 of approximately 81 results

PHUB000218 Score: 1.0	6''-O-Malonylgenistin precursor	C₂₄H₂₂O₁₃ Mono mass: 518.106040768
PHUB000215 Score: 0.972	6''-O-Acetylgenistin precursor	C₂₃H₂₂O₁₁ Mono mass: 474.116211528
PHUB000217 Score: 0.954	6''-O-Malonyldaidzin precursor	C₂₄H₂₂O₁₂ Mono mass: 502.111126148
PHUB000214 Score: 0.926	6''-O-Acetyldaidzin precursor	C₂₃H₂₂O₁₀ Mono mass: 458.121296908
PHUB000226 Score: 0.912	Genistin precursor	C₂₁H₂₀O₁₀ Mono mass: 432.105646844
PHUB003034 Score: 0.912	Sissotrin 5928-26-7 precursor	C₂₂H₂₂O₁₀ Mono mass: 446.121296908
PHUB001359 Score: 0.904	Biochanin A-7-O-glucuronide metabolite	C₂₂H₂₀O₁₁ Mono mass: 460.100561464
PHUB001367 Score: 0.904	Genistein 7-O-glucuronide metabolite	C₂₁H₁₈O₁₁ Mono mass: 446.0849114
PHUB002125 Score: 0.904	Genistein 4',7-diglucuronide metabolite	C₂₇H₂₆O₁₇ Mono mass: 622.116999377
PHUB000219 Score: 0.882	6''-O-Malonylglycitin precursor	C₂₅H₂₄O₁₃ Mono mass: 532.121690833
PHUB002127 Score: 0.873	Genistein 4'-O-glucuronide metabolite	C₂₁H₁₈O₁₁ Mono mass: 446.0849114
PHUB001353 Score: 0.868	Daidzein 7-O-glucuronide metabolite	C₂₁H₁₈O₁₀ Mono mass: 430.08999678
PHUB002130 Score: 0.868	Daidzein-4',7-diglucuronide metabolite	C₂₇H₂₆O₁₆ Mono mass: 606.122084757
PHUB000223 Score: 0.866	Daidzin precursor	C₂₁H₂₀O₉ Mono mass: 416.110732224
PHUB003033 Score: 0.866	Ononin 486-62-4 precursor	C₂₂H₂₂O₉ Mono mass: 430.126382288
PHUB000216 Score: 0.861	6''-O-Acetylglycitin precursor	C₂₄H₂₄O₁₁ Mono mass: 488.131861593
PHUB000863 Score: 0.86	Apigenin 7-O-(6''-malonyl-apiosyl-glucoside) precursor	C₂₉H₃₀O₁₇ Mono mass: 650.148299506
PHUB001354 Score: 0.851	Daidzein 4'-O-glucuronide metabolite	C₂₁H₁₈O₁₀ Mono mass: 430.08999678
PHUB000898 Score: 0.842	Luteolin 7-O-malonyl-glucoside precursor	C₂₄H₂₂O₁₄ Mono mass: 534.100955388
PHUB002126 Score: 0.837	Genistein-7-O-glucuronide-4'-sulfate metabolite	C₂₁H₁₇O₁₄S Mono mass: 525.034449981
PHUB000874 Score: 0.835	Chrysoeriol 7-O-(6''-malonyl-glucoside) precursor	C₂₅H₂₄O₁₄ Mono mass: 548.116605453
PHUB000893 Score: 0.832	Luteolin 7-O-(2-apiosyl-6-malonyl)-glucoside precursor	C₂₉H₃₀O₁₈ Mono mass: 666.143214126
PHUB002569 Score: 0.826	Chamaemeloside precursor	C₂₇H₂₈O₁₄ Mono mass: 576.147905582
PHUB000873 Score: 0.825	Chrysoeriol 7-O-(6''-malonyl-apiosyl-glucoside) precursor	C₃₀H₃₂O₁₈ Mono mass: 680.15886419
PHUB002131 Score: 0.809	Daidzein-7-glucuronide-4'-sulfate metabolite	C₂₁H₁₈O₁₃S Mono mass: 510.046811814
PHUB000228 Score: 0.806	Glycitin precursor	C₂₂H₂₂O₁₀ Mono mass: 446.121296908
PHUB000895 Score: 0.777	Luteolin 7-O-diglucuronide precursor	C₂₇H₂₆O₁₈ Mono mass: 638.111913997
PHUB000888 Score: 0.774	Isorhoifolin precursor	C₂₇H₃₀O₁₄ Mono mass: 578.163555646
PHUB001923 Score: 0.774	Apigenin 7-O-rutinoside 552-57-8 precursor	C₂₇H₃₀O₁₄ Mono mass: 578.163555646
PHUB000864 Score: 0.774	Apigenin 7-O-diglucuronide precursor metabolite	C₂₇H₂₆O₁₇ Mono mass: 622.116999377
PHUB000866 Score: 0.772	Apigenin 7-O-glucuronide metabolite	C₂₁H₁₈O₁₁ Mono mass: 446.0849114