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Mrv2104 03162309052D

27 29  0  0  1  0            999 V2000
    1.0716    2.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    2.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    1.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716    1.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    2.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    1.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3571   -0.0552    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0717    0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3571    0.7697    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2151    1.1822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    2.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    0.7697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716   -0.4677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.1822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3571   -0.8802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716    0.3572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2150   -0.0552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005   -0.4677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9295   -0.4677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2150   -0.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  7  2  0  0  0  0
  3 11  1  0  0  0  0
  4  8  2  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  2  0  0  0  0
  6  9  1  0  0  0  0
 12  6  1  0  0  0  0
 15  7  1  0  0  0  0
  8 16  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 22  1  1  0  0  0
 12 15  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 23  1  1  0  0  0
 15 20  1  0  0  0  0
 18 24  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 24 25  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 43 results

PHUB001030 Score: 1.0	(-)-Epicatechin 3'-O-sulfate metabolite	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB002313 Score: 1.0	(+)-epicatechin-3′-sulfate metabolite	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB002774 Score: 1.0	(-)Epi-catechin-5'-sulfate metabolite	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB001032 Score: 0.982	(-)-Epicatechin 4'-O-sulfate metabolite	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB001049 Score: 0.954	3'-O-Methyl-(-)-epicatechin 4'-O-sulfate metabolite	C₁₆H₁₆O₉S Mono mass: 384.051503269
PHUB001055 Score: 0.936	4'-O-Methyl-(-)-epicatechin 7-O-sulfate metabolite	C₁₆H₁₆O₉S Mono mass: 384.051503269
PHUB002147 Score: 0.936	(−)-Epicatechin-7-sulfate metabolite	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB001051 Score: 0.925	3'-O-Methyl-(-)-epicatechin 7-O-sulfate metabolite	C₁₆H₁₆O₉S Mono mass: 384.051503269
PHUB001033 Score: 0.894	(-)-Epicatechin 5-O-sulfate metabolite	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB001054 Score: 0.894	4'-O-Methyl-(-)-epicatechin 5-O-sulfate metabolite	C₁₆H₁₆O₉S Mono mass: 384.051503269
PHUB002312 Score: 0.894	(+)-epicatechin-5-sulfate	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB001050 Score: 0.885	3'-O-Methyl-(-)-epicatechin 5-O-sulfate metabolite	C₁₆H₁₆O₉S Mono mass: 384.051503269
PHUB001094 Score: 0.813	Hesperetin-3'-sulfate metabolite	C₁₆H₁₄O₉S Mono mass: 382.035853205
PHUB000261 Score: 0.805	(+)-Catechin 154-23-4 precursor	C₁₅H₁₄O₆ Mono mass: 290.079038171
PHUB000262 Score: 0.805	(-)-Epicatechin 490-46-0 precursor metabolite	C₁₅H₁₄O₆ Mono mass: 290.079038171
PHUB000264 Score: 0.805	(-)-Epigallocatechin precursor	C₁₅H₁₄O₇ Mono mass: 306.073952791
PHUB000268 Score: 0.805	(+)-Gallocatechin precursor	C₁₅H₁₄O₇ Mono mass: 306.073952791
PHUB001241 Score: 0.805	(Epi)catechin metabolite	C₁₅H₁₄O₆ Mono mass: 290.079038171
PHUB002189 Score: 0.805	(−)-Gallocatechin precursor metabolite	C₁₅H₁₄O₇ Mono mass: 306.073952791
PHUB002190 Score: 0.805	(−)-Catechin precursor metabolite	C₁₅H₁₄O₆ Mono mass: 290.079038171
PHUB002207 Score: 0.805	(+)-Epicatechin precursor metabolite	C₁₅H₁₄O₆ Mono mass: 290.079038171
PHUB001747 Score: 0.795	3'-O-Methyl-epicatechin metabolite	C₁₆H₁₆O₆ Mono mass: 304.094688235
PHUB002215 Score: 0.795	3'-Methoxy-(+)-catechin metabolite	C₁₆H₁₆O₆ Mono mass: 304.094688235
PHUB002141 Score: 0.771	Hesperetin-7-sulfate metabolite	C₁₆H₁₄O₉S Mono mass: 382.035853205
PHUB002823 Score: 0.747	Hesperetin-3’,7-di-sulfate metabolite	C₁₆H₁₄O₁₁S₂ Mono mass: 445.997753619
PHUB001104 Score: 0.736	Hesperetin-5-sulfate metabolite	C₁₆H₁₄O₉S Mono mass: 382.035853205
PHUB002820 Score: 0.736	Hesperetin-3',5-di-sulfate metabolite	C₁₆H₁₄O₁₁S₂ Mono mass: 445.997753619
PHUB002821 Score: 0.736	Hesperetin-3’,5,7-tri-sulfate metabolite	C₁₆H₁₄O₁₄S₃ Mono mass: 525.954568653
PHUB000270 Score: 0.734	Afzelechin precursor	C₁₅H₁₄O₅ Mono mass: 274.084123551
PHUB002144 Score: 0.73	Naringenin-4'-sulfate metabolite	C₁₅H₁₂O₈S Mono mass: 352.02528852
PHUB001146 Score: 0.728	Tamarixetin metabolite	C₁₆H₁₄O₇ Mono mass: 318.073952791
PHUB001756 Score: 0.728	Taxifolin 480-18-2 precursor	C₁₅H₁₂O₇ Mono mass: 304.058302726