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Mrv2104 06072104282D

26 28  0  0  0  0            999 V2000
    1.3740    1.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3740    0.9202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6595    0.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0550    0.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7694    0.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7694   -0.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0550   -0.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6595   -0.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3740   -0.7298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4839   -0.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4839   -1.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1984   -1.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1984   -2.7923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9128   -1.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9128   -0.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1984   -0.3173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6273   -0.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3418   -0.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0563   -0.3173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3418   -1.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6273   -1.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6273   -2.7923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0885   -0.3173    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5010   -1.0318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8029    0.0952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6760    0.3972    0.0000 O   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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 10 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
  9 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  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 — 30 of approximately 36 results

PHUB001094 Score: 1.0	Hesperetin-3'-sulfate metabolite	C₁₆H₁₄O₉S Mono mass: 382.035853205
PHUB002141 Score: 0.923	Hesperetin-7-sulfate metabolite	C₁₆H₁₄O₉S Mono mass: 382.035853205
PHUB002823 Score: 0.894	Hesperetin-3’,7-di-sulfate metabolite	C₁₆H₁₄O₁₁S₂ Mono mass: 445.997753619
PHUB002144 Score: 0.883	Naringenin-4'-sulfate metabolite	C₁₅H₁₂O₈S Mono mass: 352.02528852
PHUB001104 Score: 0.88	Hesperetin-5-sulfate metabolite	C₁₆H₁₄O₉S Mono mass: 382.035853205
PHUB002820 Score: 0.88	Hesperetin-3',5-di-sulfate metabolite	C₁₆H₁₄O₁₁S₂ Mono mass: 445.997753619
PHUB002821 Score: 0.88	Hesperetin-3’,5,7-tri-sulfate metabolite	C₁₆H₁₄O₁₄S₃ Mono mass: 525.954568653
PHUB002143 Score: 0.868	Naringenin-7- sulfate metabolite	C₁₅H₁₂O₈S Mono mass: 352.02528852
PHUB002828 Score: 0.864	Hesperetin-5,7-di-sulfate metabolite	C₁₆H₁₄O₁₁S₂ Mono mass: 445.997753619
PHUB000378 Score: 0.816	Eriodictyol precursor metabolite	C₁₅H₁₂O₆ Mono mass: 288.063388106
PHUB000380 Score: 0.816	Hesperetin 520-33-2 precursor metabolite	C₁₆H₁₄O₆ Mono mass: 302.079038171
PHUB001030 Score: 0.813	(-)-Epicatechin 3'-O-sulfate metabolite	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB002313 Score: 0.813	(+)-epicatechin-3′-sulfate metabolite	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB002774 Score: 0.813	(-)Epi-catechin-5'-sulfate metabolite	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB000399 Score: 0.81	Butin precursor	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB001105 Score: 0.807	Homoeriodictyol metabolite	C₁₆H₁₄O₆ Mono mass: 302.079038171
PHUB001049 Score: 0.804	3'-O-Methyl-(-)-epicatechin 4'-O-sulfate metabolite	C₁₆H₁₆O₉S Mono mass: 384.051503269
PHUB002490 Score: 0.803	Hesperetin-O-glucosyl-sulfate metabolite	C₃₄H₄₄O₂₃S Mono mass: 852.199408851
PHUB001032 Score: 0.797	(-)-Epicatechin 4'-O-sulfate metabolite	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB000382 Score: 0.76	Isosakuranetin precursor	C₁₆H₁₄O₅ Mono mass: 286.084123551
PHUB000387 Score: 0.76	Naringenin precursor metabolite	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB001055 Score: 0.759	4'-O-Methyl-(-)-epicatechin 7-O-sulfate metabolite	C₁₆H₁₆O₉S Mono mass: 384.051503269
PHUB002147 Score: 0.759	(−)-Epicatechin-7-sulfate metabolite	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB000398 Score: 0.756	Sakuranetin precursor	C₁₆H₁₄O₅ Mono mass: 286.084123551
PHUB000386 Score: 0.754	Liquiritigenin precursor	C₁₅H₁₂O₄ Mono mass: 256.073558866
PHUB000396 Score: 0.754	Pinocembrin precursor	C₁₅H₁₂O₄ Mono mass: 256.073558866
PHUB001146 Score: 0.753	Tamarixetin metabolite	C₁₆H₁₄O₇ Mono mass: 318.073952791
PHUB001756 Score: 0.753	Taxifolin 480-18-2 precursor	C₁₅H₁₂O₇ Mono mass: 304.058302726
PHUB001762 Score: 0.753	Dihydroquercetin precursor	C₁₅H₁₂O₇ Mono mass: 304.058302726
PHUB001051 Score: 0.751	3'-O-Methyl-(-)-epicatechin 7-O-sulfate metabolite	C₁₆H₁₆O₉S Mono mass: 384.051503269
PHUB001878 Score: 0.733	Cerasinone 64166-14-9 precursor	C₁₈H₁₈O₆ Mono mass: 330.1103383