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Isoeugenol
  Mrv2104 06072104292D

29 32  0  0  0  0            999 V2000
   -2.8580    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5725   -0.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5725   -1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580   -1.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1436   -1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1436   -0.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4291    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4291   -1.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7146   -1.2080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7146   -0.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7146    1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4291    0.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002    0.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7143    1.2670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2870   -1.6205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4291   -2.4456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5393    1.2670    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2538    1.6795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5393    0.4420    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2538    0.0295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9682    0.4420    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9682    1.2670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6827    1.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6827    2.5045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3972    1.2670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6827    0.0295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2538   -0.7955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8248    0.0295    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
  1  6  1  0  0  0  0
  7  6  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
  7 10  1  0  0  0  0
 12  7  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
  3 16  1  0  0  0  0
  8 17  2  0  0  0  0
 18 15  1  1  0  0  0
 19 18  1  0  0  0  0
 18 20  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
 19 23  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 22 27  1  6  0  0  0
 21 28  1  1  0  0  0
 20 29  1  6  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 30 results

PHUB001392 Score: 1.0	Urolithin A-3-glucuronide metabolite	C₁₉H₁₆O₁₀ Mono mass: 404.074346715
PHUB001393 Score: 1.0	Urolithin A-8-O-glucuronide 1365982-52-0 metabolite	C₁₉H₁₆O₁₀ Mono mass: 404.074346715
PHUB001999 Score: 0.989	Urolithin A-3,8-diglucuronide metabolite	C₂₅H₂₄O₁₆ Mono mass: 580.106434693
PHUB001397 Score: 0.984	Urolithin C-3-glucuronide 1268248-76-5 metabolite	C₁₉H₁₆O₁₁ Mono mass: 420.069261335
PHUB001648 Score: 0.973	Isourolithin A-3-glucuronide metabolite	C₁₉H₁₆O₁₀ Mono mass: 404.074346715
PHUB001395 Score: 0.973	Urolithin B-3-glucuronide 823806-74-2 metabolite	C₁₉H₁₆O₉ Mono mass: 388.079432095
PHUB002000 Score: 0.968	Urolithin A-8-glucuronide metabolite	C₁₉H₁₆O₁₀ Mono mass: 404.074346715
PHUB001438 Score: 0.889	4-Methylumbelliferone glucuronide metabolite	C₁₆H₁₆O₉ Mono mass: 352.079432095
PHUB000247 Score: 0.784	Scopolin precursor	C₁₆H₁₈O₉ Mono mass: 354.09508216
PHUB000240 Score: 0.776	Esculin precursor	C₁₅H₁₆O₉ Mono mass: 340.079432095
PHUB000302 Score: 0.761	Ellagic acid glucoside precursor	C₂₀H₁₆O₁₃ Mono mass: 464.059090575
PHUB001353 Score: 0.754	Daidzein 7-O-glucuronide metabolite	C₂₁H₁₈O₁₀ Mono mass: 430.08999678
PHUB002130 Score: 0.754	Daidzein-4',7-diglucuronide metabolite	C₂₇H₂₆O₁₆ Mono mass: 606.122084757
PHUB000299 Score: 0.738	Ellagic acid acetyl-arabinoside precursor	C₂₁H₁₆O₁₃ Mono mass: 476.059090575
PHUB000300 Score: 0.738	Ellagic acid acetyl-xyloside precursor	C₂₁H₁₆O₁₃ Mono mass: 476.059090575
PHUB001354 Score: 0.737	Daidzein 4'-O-glucuronide metabolite	C₂₁H₁₈O₁₀ Mono mass: 430.08999678
PHUB000866 Score: 0.73	Apigenin 7-O-glucuronide metabolite	C₂₁H₁₈O₁₁ Mono mass: 446.0849114
PHUB001359 Score: 0.728	Biochanin A-7-O-glucuronide metabolite	C₂₂H₂₀O₁₁ Mono mass: 460.100561464
PHUB001367 Score: 0.728	Genistein 7-O-glucuronide metabolite	C₂₁H₁₈O₁₁ Mono mass: 446.0849114
PHUB002125 Score: 0.728	Genistein 4',7-diglucuronide metabolite	C₂₇H₂₆O₁₇ Mono mass: 622.116999377
PHUB000301 Score: 0.728	Ellagic acid arabinoside precursor	C₁₉H₁₄O₁₂ Mono mass: 434.048525891
PHUB002993 Score: 0.726	Scutellarin metabolite	C₂₁H₁₈O₁₂ Mono mass: 462.07982602
PHUB000864 Score: 0.725	Apigenin 7-O-diglucuronide precursor metabolite	C₂₇H₂₆O₁₇ Mono mass: 622.116999377
PHUB002978 Score: 0.722	Apigenin 4'-O-glucuronide metabolite	C₂₁H₁₈O₁₁ Mono mass: 446.0849114
PHUB002127 Score: 0.721	Genistein 4'-O-glucuronide metabolite	C₂₁H₁₈O₁₁ Mono mass: 446.0849114
PHUB002131 Score: 0.717	Daidzein-7-glucuronide-4'-sulfate metabolite	C₂₁H₁₈O₁₃S Mono mass: 510.046811814
PHUB002986 Score: 0.71	4'-O-methyl-luteolin-7-O-Glucuronide metabolite	C₂₂H₂₀O₁₂ Mono mass: 476.095476084
PHUB001309 Score: 0.707	Hydroquinone glucuronide metabolite	C₁₂H₁₄O₈ Mono mass: 286.068867411
PHUB000897 Score: 0.705	Luteolin 7-O-glucuronide precursor metabolite	C₂₁H₁₈O₁₂ Mono mass: 462.07982602
PHUB002984 Score: 0.704	3'-O-methyl-luteolin-7-O-Glucuronide metabolite	C₂₂H₂₀O₁₂ Mono mass: 476.095476084