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Mrv2104 03152310162D

19 19  0  0  0  0            999 V2000
    0.7030    0.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0113    0.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0113   -0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7030   -0.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4175   -0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4175    0.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7258    0.8387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7030    1.6636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1319   -0.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8464   -0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8464    0.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1319    0.8386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5608    0.8386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5608   -0.8113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0113    2.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4403    0.4262    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1547    0.8387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7258    0.0137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8528   -0.2882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  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
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  2  0  0  0  0
  1  8  1  0  0  0  0
  2  7  1  0  0  0  0
  8 15  1  0  0  0  0
  7 16  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 17  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 — 30 of approximately 33 results

PHUB002768 Score: 1.0	3-Methoxyphenyllactic acid-4-sulfate metabolite	C₁₀H₁₂O₈S Mono mass: 292.02528852
PHUB002769 Score: 0.946	4-Methoxyphenyllactic acid-3-sulfate metabolite	C₁₀H₁₂O₈S Mono mass: 292.02528852
PHUB002770 Score: 0.919	3-Hydroxyphenyllactic acid-4-sulfate metabolite	C₉H₁₀O₈S Mono mass: 278.009638456
PHUB001436 Score: 0.911	Dihydroferulic acid-4'-sulfate 86321-33-7 metabolite	C₁₀H₁₂O₇S Mono mass: 276.0303739
PHUB002771 Score: 0.884	4-Hydroxyphenyllactic acid-3-sulfate metabolite	C₉H₁₀O₈S Mono mass: 278.009638456
PHUB001592 Score: 0.86	Dihydroisoferulic acid-3'-O-sulfate 1258842-21-5 metabolite	C₁₀H₁₂O₇S Mono mass: 276.0303739
PHUB002799 Score: 0.833	3-(4’-methyl-phenyl)hydracrylic acid-3’- sulfate metabolite	C₁₀H₁₂O₈S Mono mass: 292.02528852
PHUB001988 Score: 0.826	4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-sulfate metabolite	C₁₂H₁₆O₈S Mono mass: 320.056588649
PHUB001206 Score: 0.815	Dihydrocaffeic acid-4'-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002796 Score: 0.799	hexahydrocurcumin sulfate metabolite	C₂₁H₂₆O₉S Mono mass: 454.129753591
PHUB001375 Score: 0.785	Homovanillic acid sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002228 Score: 0.785	3′-Methoxyphenylacetic acid-4′-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002807 Score: 0.785	3’-methoxyphenyl acetic acid -4’-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002775 Score: 0.783	4-Hydroxy-5-(4'-methoxyphenyl)valeric acid-3'-sulfate metabolite	C₁₂H₁₆O₈S Mono mass: 320.056588649
PHUB001588 Score: 0.783	Dihydrocaffeic acid-3-sulfate 1187945-70-5 metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB001753 Score: 0.783	3-(4'-Hydroxyphenyl)propionic acid-3'-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002797 Score: 0.765	Octahydrocurcumin sulfate metabolite	C₂₁H₂₈O₉S Mono mass: 456.145403656
PHUB001996 Score: 0.745	5-(3'-methoxyphenyl)-γ-valerolactone-4'-sulfate metabolite	C₁₂H₁₄O₇S Mono mass: 302.046023965
PHUB002216 Score: 0.745	5-(Phenyl)-γ-valerolactone-3'-methoxy-4'-sulfate metabolite	C₁₂H₁₄O₇S Mono mass: 302.046023965
PHUB002229 Score: 0.741	4′-Methoxyphenylacetic acid-3′-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002815 Score: 0.741	4’-hydroxyphenyl-acetic acid-3’-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002782 Score: 0.739	4-Hydroxy-5-(3'-hydroxyphenyl)valeric acid-4'-sulfate metabolite	C₁₁H₁₄O₈S Mono mass: 306.040938585
PHUB002764 Score: 0.718	3-Methoxy,4-hydroxyphenyllactic acid metabolite	C₁₀H₁₂O₅ Mono mass: 212.068473486
PHUB001989 Score: 0.713	4-hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-sulfate metabolite	C₁₁H₁₄O₈S Mono mass: 306.040938585
PHUB002745 Score: 0.713	4,3'-Dimethoxurosmarinic acid-3'-sulfate metabolite	C₂₀H₂₀O₁₁S Mono mass: 468.072632638
PHUB002747 Score: 0.713	3,4'-Dimethoxyrosmarinic acid-3'-sulfate metabolite	C₂₀H₂₀O₁₁S Mono mass: 468.072632638
PHUB002754 Score: 0.713	4'-Methoxyrosmarinic acid-3'-sulfate metabolite	C₁₉H₁₈O₁₁S Mono mass: 454.056982574
PHUB002795 Score: 0.712	tetrahydrocurcumin sulfate metabolite	C₂₁H₂₄O₉S Mono mass: 452.114103527
PHUB001958 Score: 0.71	3-Methoxytyramine sulfate metabolite	C₉H₁₃NO₅S Mono mass: 247.051443697
PHUB002187 Score: 0.709	5-(Phenyl)-γ-valerolactone-4′-methoxy-3′-sulfate metabolite	C₁₂H₁₄O₇S Mono mass: 302.046023965
PHUB002788 Score: 0.709	5-(4'-Methoxyphenyl)-γ-valerolactone-3'-sulfate metabolite	C₁₂H₁₄O₇S Mono mass: 302.046023965
PHUB002744 Score: 0.707	3,3'-Dimethoxyrosmarinic acid-4-sulfate metabolite	C₂₀H₂₀O₁₁S Mono mass: 468.072632638
PHUB002748 Score: 0.707	3,4'-Dimethoxyrosmarinic acid-4-sulfate metabolite	C₂₀H₂₀O₁₁S Mono mass: 468.072632638
PHUB002757 Score: 0.707	3-Methoxyrosmarinic acid-4-sulfate metabolite	C₁₉H₁₈O₁₁S Mono mass: 454.056982574
PHUB002785 Score: 0.707	5-(3'-Hydroxyphenyl)valeric acid-4'-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB002286 Score: 0.705	3-(phenyl)propionic acid-3′-sulfate metabolite	C₉H₁₀O₆S Mono mass: 246.019809216
PHUB002804 Score: 0.705	3-(phenyl)-propionic acid-3’-sulfate metabolite	C₉H₁₀O₆S Mono mass: 246.019809216