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Mrv2104 09152309472D

26 28  0  0  1  0            999 V2000
    3.5482    2.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5626    1.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552    1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1337    1.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1193    2.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8264    2.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4266    1.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4409    0.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7337   -0.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7481   -1.0305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0119    0.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6947   -0.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4164    0.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4309    0.9943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7235    1.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0020    1.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7048    1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6803   -1.0554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1524    1.3941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2554    2.7438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8120    3.5436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3877   -1.4805    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1096   -1.0803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3733   -2.3057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6659   -1.8807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2411    3.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 17  1  0  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 21  6  1  0  0  0  0
 18 22  1  0  0  0  0
 22 25  2  0  0  0  0
 22 24  1  0  0  0  0
 22 23  2  0  0  0  0
  1 20  1  0  0  0  0
 20 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 45 results

PHUB001104 Score: 1.0	Hesperetin-5-sulfate metabolite	C₁₆H₁₄O₉S Mono mass: 382.035853205
PHUB002828 Score: 0.983	Hesperetin-5,7-di-sulfate metabolite	C₁₆H₁₄O₁₁S₂ Mono mass: 445.997753619
PHUB002820 Score: 0.967	Hesperetin-3',5-di-sulfate metabolite	C₁₆H₁₄O₁₁S₂ Mono mass: 445.997753619
PHUB002821 Score: 0.967	Hesperetin-3’,5,7-tri-sulfate metabolite	C₁₆H₁₄O₁₄S₃ Mono mass: 525.954568653
PHUB002823 Score: 0.951	Hesperetin-3’,7-di-sulfate metabolite	C₁₆H₁₄O₁₁S₂ Mono mass: 445.997753619
PHUB002141 Score: 0.95	Hesperetin-7-sulfate metabolite	C₁₆H₁₄O₉S Mono mass: 382.035853205
PHUB002143 Score: 0.894	Naringenin-7- sulfate metabolite	C₁₅H₁₂O₈S Mono mass: 352.02528852
PHUB001094 Score: 0.88	Hesperetin-3'-sulfate metabolite	C₁₆H₁₄O₉S Mono mass: 382.035853205
PHUB002144 Score: 0.878	Naringenin-4'-sulfate metabolite	C₁₅H₁₂O₈S Mono mass: 352.02528852
PHUB001033 Score: 0.814	(-)-Epicatechin 5-O-sulfate metabolite	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB001054 Score: 0.814	4'-O-Methyl-(-)-epicatechin 5-O-sulfate metabolite	C₁₆H₁₆O₉S Mono mass: 384.051503269
PHUB002312 Score: 0.814	(+)-epicatechin-5-sulfate	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB000378 Score: 0.811	Eriodictyol precursor metabolite	C₁₅H₁₂O₆ Mono mass: 288.063388106
PHUB000380 Score: 0.811	Hesperetin 520-33-2 precursor metabolite	C₁₆H₁₄O₆ Mono mass: 302.079038171
PHUB001050 Score: 0.806	3'-O-Methyl-(-)-epicatechin 5-O-sulfate metabolite	C₁₆H₁₆O₉S Mono mass: 384.051503269
PHUB000399 Score: 0.806	Butin precursor	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB001105 Score: 0.802	Homoeriodictyol metabolite	C₁₆H₁₄O₆ Mono mass: 302.079038171
PHUB001055 Score: 0.782	4'-O-Methyl-(-)-epicatechin 7-O-sulfate metabolite	C₁₆H₁₆O₉S Mono mass: 384.051503269
PHUB002147 Score: 0.782	(−)-Epicatechin-7-sulfate metabolite	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB001051 Score: 0.774	3'-O-Methyl-(-)-epicatechin 7-O-sulfate metabolite	C₁₆H₁₆O₉S Mono mass: 384.051503269
PHUB000382 Score: 0.756	Isosakuranetin precursor	C₁₆H₁₄O₅ Mono mass: 286.084123551
PHUB000387 Score: 0.756	Naringenin precursor metabolite	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB000398 Score: 0.751	Sakuranetin precursor	C₁₆H₁₄O₅ Mono mass: 286.084123551
PHUB000386 Score: 0.75	Liquiritigenin precursor	C₁₅H₁₂O₄ Mono mass: 256.073558866
PHUB000396 Score: 0.75	Pinocembrin precursor	C₁₅H₁₂O₄ Mono mass: 256.073558866
PHUB001146 Score: 0.749	Tamarixetin metabolite	C₁₆H₁₄O₇ Mono mass: 318.073952791
PHUB001756 Score: 0.749	Taxifolin 480-18-2 precursor	C₁₅H₁₂O₇ Mono mass: 304.058302726
PHUB001762 Score: 0.749	Dihydroquercetin precursor	C₁₅H₁₂O₇ Mono mass: 304.058302726
PHUB002836 Score: 0.748	Hesperetin-7-glucuronide-5-sulfate metabolite	C₂₂H₂₂O₁₄S Mono mass: 542.073026562
PHUB001032 Score: 0.747	(-)-Epicatechin 4'-O-sulfate metabolite	C₁₅H₁₄O₉S Mono mass: 370.035853205