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Mrv2104 06072104352D

15 15  0  0  0  0            999 V2000
    5.9011   -5.8886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6157   -5.5277    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3302   -5.1151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8956   -6.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3358   -4.7836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0447   -6.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7593   -6.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4737   -6.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4737   -5.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7593   -5.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0447   -5.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3302   -6.7651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1883   -5.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9028   -5.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6172   -5.1151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  7  6  1  0  0  0  0
 11  6  2  0  0  0  0
 12  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 13  9  1  0  0  0  0
 11 10  1  0  0  0  0
  3 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  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 — 19 of approximately 19 results

PHUB001951 Score: 1.0	Dopamine 3-O-sulfate 51317-41-0 metabolite biomarker	C₈H₁₁NO₅S Mono mass: 233.035793632
PHUB001952 Score: 0.946	Dopamine 4-O-sulfate 38339-02-5 metabolite	C₈H₁₁NO₅S Mono mass: 233.035793632
PHUB002387 Score: 0.885	Hydroxytyrosol 3'-sulfate metabolite	C₈H₁₀O₆S Mono mass: 234.019809216
PHUB002388 Score: 0.833	Hydroxytyrosol 4'-sulfate 425408-51-1 metabolite	C₈H₁₀O₆S Mono mass: 234.019809216
PHUB001958 Score: 0.829	3-Methoxytyramine sulfate metabolite	C₉H₁₃NO₅S Mono mass: 247.051443697
PHUB002808 Score: 0.787	4’-hydroxyphenylacetic acid-3’-sulfate metabolite	C₈H₈O₇S Mono mass: 247.999073772
PHUB001960 Score: 0.783	Tyramine O-sulfate metabolite	C₈H₁₁NO₄S Mono mass: 217.040879012
PHUB002842 Score: 0.782	Phenylacetic acid-3’,4’-di-sulfate metabolite	C₈H₈O₁₀S₂ Mono mass: 327.955888806
PHUB001588 Score: 0.752	Dihydrocaffeic acid-3-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB001753 Score: 0.752	3-(4'-Hydroxyphenyl)propionic acid-3'-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB001921 Score: 0.741	3-Hydroxybenzoic acid-4-sulfate metabolite	C₈H₈O₇S Mono mass: 247.999073772
PHUB002849 Score: 0.741	Phenylacetic acid-4’-sulfate metabolite	C₈H₈O₇S Mono mass: 247.999073772
PHUB002263 Score: 0.739	5-(4′-Hydroxyphenyl)-valeric acid-3′-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB002786 Score: 0.739	5-(4'-Hydroxyphenyl)valeric acid-3'-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB001888 Score: 0.721	Eugenol sulfate metabolite	C₁₀H₁₂O₅S Mono mass: 244.04054466
PHUB002229 Score: 0.72	4′-Methoxyphenylacetic acid-3′-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002815 Score: 0.72	4’-hydroxyphenyl-acetic acid-3’-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002790 Score: 0.708	5-(Phenyl)-γ-valerolactone-3',4'-disulfate metabolite	C₁₂H₁₄O₉S₂ Mono mass: 366.007924379
PHUB001206 Score: 0.708	Dihydrocaffeic acid-4'-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB001289 Score: 0.705	Protocatechuic acid-3-O-sulfate metabolite	C₇H₆O₇S Mono mass: 233.983423707
PHUB001752 Score: 0.705	4-Hydroxybenzoic acid -3-sulfate metabolite	C₇H₆O₇S Mono mass: 233.983423707
PHUB001414 Score: 0.704	Dihydro-resveratrol-3-O-sulfate metabolite	C₁₄H₁₄O₆S Mono mass: 310.051109345
PHUB001495 Score: 0.704	Dihydro-resveratrol-disulfate metabolite	C₁₄H₁₄O₉S₂ Mono mass: 390.007924379
PHUB002816 Score: 0.702	Protocatechuic acid-disulfate metabolite	C₇H₆O₁₀S₂ Mono mass: 313.940238741