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Mrv2104 03172309032D

23 24  0  0  0  0            999 V2000
    0.3125    1.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4019    1.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4019    0.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0270    0.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0270    1.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7414    1.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7414   -0.1778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1164    1.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8309    1.0598    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4984    1.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1658    1.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9109    0.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0859    0.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -0.3922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7414    2.2973    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7413   -1.0028    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0269    2.7098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4559    2.7098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4559    1.8848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0268   -1.4152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4558   -1.4153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7413   -1.8278    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
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  6  0  0  0
 13 15  2  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
 16 20  2  0  0  0  0
 16 19  1  0  0  0  0
 16 18  2  0  0  0  0
 17 23  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  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 — 14 of approximately 14 results

PHUB002790 Score: 1.0	5-(Phenyl)-γ-valerolactone-3',4'-disulfate metabolite	C₁₂H₁₄O₉S₂ Mono mass: 366.007924379
PHUB002263 Score: 0.826	5-(4′-Hydroxyphenyl)-valeric acid-3′-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB002786 Score: 0.826	5-(4'-Hydroxyphenyl)valeric acid-3'-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB002785 Score: 0.785	5-(3'-Hydroxyphenyl)valeric acid-4'-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB002784 Score: 0.769	4-Hydroxy-5-(Phenyl)valeric acid-3',4'-disulfate metabolite	C₁₁H₁₄O₁₁S₂ Mono mass: 385.997753619
PHUB002264 Score: 0.752	5-(Phenyl)valeric acid-3′-sulfate metabolite	C₁₁H₁₄O₆S Mono mass: 274.051109345
PHUB002789 Score: 0.752	5-(Phenyl)valeric acid 3'-sulfate metabolite	C₁₁H₁₄O₆S Mono mass: 274.051109345
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
PHUB001989 Score: 0.746	4-hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-sulfate metabolite	C₁₁H₁₄O₈S Mono mass: 306.040938585
PHUB001206 Score: 0.712	Dihydrocaffeic acid-4'-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002387 Score: 0.712	Hydroxytyrosol 3'-sulfate metabolite	C₈H₁₀O₆S Mono mass: 234.019809216
PHUB002910 Score: 0.711	5-(3,5-dihydroxyphenyl)pentanoic sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB002162 Score: 0.709	5-(Phenyl)-γ-valerolactone-4',5'-disulfate metabolite	C₁₁H₁₂O₁₀S₂ Mono mass: 367.987188934
PHUB002782 Score: 0.709	4-Hydroxy-5-(3'-hydroxyphenyl)valeric acid-4'-sulfate metabolite	C₁₁H₁₄O₈S Mono mass: 306.040938585
PHUB002842 Score: 0.709	Phenylacetic acid-3’,4’-di-sulfate metabolite	C₈H₈O₁₀S₂ Mono mass: 327.955888806
PHUB001951 Score: 0.708	Dopamine 3-O-sulfate 51317-41-0 metabolite biomarker	C₈H₁₁NO₅S Mono mass: 233.035793632