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Mrv2104 10222109372D

24 26  0  0  0  0            999 V2000
   -1.0658    0.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7803    0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7803   -0.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0658   -1.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3513   -0.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3513    0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3631    0.6089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3631   -1.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0776   -0.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0776    0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4950    1.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7803    1.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7803    0.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4950    0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2093    0.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2093    1.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9240    1.8661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3631   -1.8661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0658   -1.8661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4949    0.6089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6219    0.9108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7969   -0.5180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9240   -0.2160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2094    0.1964    0.0000 S   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
  7  6  1  0  0  0  0
  6  5  1  0  0  0  0
  5  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 10 13  1  0  0  0  0
 16 17  1  0  0  0  0
  8 18  2  0  0  0  0
  4 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 24  1  0  0  0  0
 21 24  1  0  0  0  0
 24 22  2  0  0  0  0
 24 23  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 42 results

PHUB002143 Score: 1.0	Naringenin-7- sulfate metabolite	C₁₅H₁₂O₈S Mono mass: 352.02528852
PHUB002144 Score: 0.981	Naringenin-4'-sulfate metabolite	C₁₅H₁₂O₈S Mono mass: 352.02528852
PHUB002141 Score: 0.942	Hesperetin-7-sulfate metabolite	C₁₆H₁₄O₉S Mono mass: 382.035853205
PHUB002823 Score: 0.899	Hesperetin-3’,7-di-sulfate metabolite	C₁₆H₁₄O₁₁S₂ Mono mass: 445.997753619
PHUB002828 Score: 0.899	Hesperetin-5,7-di-sulfate metabolite	C₁₆H₁₄O₁₁S₂ Mono mass: 445.997753619
PHUB001104 Score: 0.894	Hesperetin-5-sulfate metabolite	C₁₆H₁₄O₉S Mono mass: 382.035853205
PHUB002820 Score: 0.884	Hesperetin-3',5-di-sulfate metabolite	C₁₆H₁₄O₁₁S₂ Mono mass: 445.997753619
PHUB002821 Score: 0.884	Hesperetin-3’,5,7-tri-sulfate metabolite	C₁₆H₁₄O₁₄S₃ Mono mass: 525.954568653
PHUB001094 Score: 0.868	Hesperetin-3'-sulfate metabolite	C₁₆H₁₄O₉S Mono mass: 382.035853205
PHUB000382 Score: 0.845	Isosakuranetin precursor	C₁₆H₁₄O₅ Mono mass: 286.084123551
PHUB000387 Score: 0.845	Naringenin precursor metabolite	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB000398 Score: 0.84	Sakuranetin precursor	C₁₆H₁₄O₅ Mono mass: 286.084123551
PHUB000386 Score: 0.839	Liquiritigenin precursor	C₁₅H₁₂O₄ Mono mass: 256.073558866
PHUB000396 Score: 0.839	Pinocembrin precursor	C₁₅H₁₂O₄ Mono mass: 256.073558866
PHUB001878 Score: 0.8	Cerasinone 64166-14-9 precursor	C₁₈H₁₈O₆ Mono mass: 330.1103383
PHUB000378 Score: 0.795	Eriodictyol precursor metabolite	C₁₅H₁₂O₆ Mono mass: 288.063388106
PHUB000380 Score: 0.795	Hesperetin 520-33-2 precursor metabolite	C₁₆H₁₄O₆ Mono mass: 302.079038171
PHUB000399 Score: 0.789	Butin precursor	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB001105 Score: 0.786	Homoeriodictyol metabolite	C₁₆H₁₄O₆ Mono mass: 302.079038171
PHUB000400 Score: 0.771	Garbanzol precursor	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB001055 Score: 0.766	4'-O-Methyl-(-)-epicatechin 7-O-sulfate metabolite	C₁₆H₁₆O₉S Mono mass: 384.051503269
PHUB002147 Score: 0.766	(−)-Epicatechin-7-sulfate metabolite	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB001051 Score: 0.758	3'-O-Methyl-(-)-epicatechin 7-O-sulfate metabolite	C₁₆H₁₆O₉S Mono mass: 384.051503269
PHUB000372 Score: 0.75	6-Prenylnaringenin 68236-13-5 precursor metabolite	C₂₀H₂₀O₅ Mono mass: 340.131073744
PHUB000373 Score: 0.742	8-Prenylnaringenin precursor metabolite	C₂₀H₂₀O₅ Mono mass: 340.131073744
PHUB000374 Score: 0.742	6,8-Diprenylnaringenin precursor	C₂₅H₂₈O₅ Mono mass: 408.193674002
PHUB000401 Score: 0.737	Glabranin precursor	C₂₀H₂₀O₄ Mono mass: 324.136159124
PHUB001033 Score: 0.734	(-)-Epicatechin 5-O-sulfate metabolite	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB001054 Score: 0.734	4'-O-Methyl-(-)-epicatechin 5-O-sulfate metabolite	C₁₆H₁₆O₉S Mono mass: 384.051503269
PHUB002312 Score: 0.734	(+)-epicatechin-5-sulfate	C₁₅H₁₄O₉S Mono mass: 370.035853205