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Mrv2104 05092310002D

25 27  0  0  0  0            999 V2000
   -2.8571    0.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5716    0.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5716   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8571   -0.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1426   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1426    0.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4280   -0.9590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7136   -0.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7135    0.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4281    0.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007   -0.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007   -1.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7153   -2.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4297   -1.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4298   -0.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7152   -0.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2860   -0.9590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8571    1.5160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4281    1.5160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7153   -3.0215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1442   -2.1964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0009   -3.4340    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7135   -3.0215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0009   -4.2590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7154   -3.8465    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
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  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 12  2  0  0  0  0
 11 16  1  0  0  0  0
  1 18  1  0  0  0  0
  3 17  1  0  0  0  0
 10 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
  7  8  1  0  0  0  0
  5  7  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 42 results

PHUB002987 Score: 1.0	Luteolin-3'-O-Sulfate metabolite	C₁₅H₁₀O₉S Mono mass: 366.004553076
PHUB001316 Score: 0.927	Quercetin 3'-O-sulfate metabolite	C₁₅H₁₀O₁₀S Mono mass: 381.999467696
PHUB001871 Score: 0.904	Quercetin 4'-O-sulfate metabolite	C₁₅H₁₀O₁₀S Mono mass: 381.999467696
PHUB001874 Score: 0.886	Quercetin disulfate metabolite	C₁₅H₁₀O₁₃S₂ Mono mass: 461.95628273
PHUB003030 Score: 0.859	Baicalein-7-O-sulfate metabolite	C₁₅H₁₀O₈S Mono mass: 350.009638456
PHUB003028 Score: 0.849	Apigenin 7-O-sulfate metabolite	C₁₅H₁₀O₈S Mono mass: 350.009638456
PHUB001580 Score: 0.838	Quercetin 7-O-sulfate metabolite	C₁₅H₁₀O₁₀S Mono mass: 381.999467696
PHUB000892 Score: 0.793	Luteolin 491-70-3 precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000857 Score: 0.781	6-Hydroxyluteolin precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000880 Score: 0.765	Diosmetin precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000859 Score: 0.762	7,3',4'-Trihydroxyflavone precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000694 Score: 0.757	Myricetin precursor	C₁₅H₁₀O₈ Mono mass: 318.037567282
PHUB000702 Score: 0.757	Quercetin 117-39-5 precursor metabolite	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000871 Score: 0.751	Chrysoeriol precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000900 Score: 0.746	Nepetin precursor	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000910 Score: 0.743	Tricin precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000905 Score: 0.74	Scutellarein precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000861 Score: 0.738	Apigenin 520-36-5 precursor metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000890 Score: 0.733	Jaceosidin precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000652 Score: 0.729	6,8-Dihydroxykaempferol precursor	C₁₅H₁₀O₈ Mono mass: 318.037567282
PHUB000882 Score: 0.729	Eupatilin precursor	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB002780 Score: 0.729	Herbacetin 527-95-7 precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000868 Score: 0.728	Baicalein precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000870 Score: 0.726	Chrysin precursor	C₁₅H₁₀O₄ Mono mass: 254.057908802
PHUB000878 Score: 0.725	Cirsiliol precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000883 Score: 0.725	Eupatorin precursor	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB002994 Score: 0.725	5,3′-didemethylsinensetin metabolite	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB000657 Score: 0.723	Fisetin precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000885 Score: 0.723	Geraldone precursor	C₁₆H₁₂O₅ Mono mass: 284.068473486
PHUB000672 Score: 0.722	Kaempferol precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000693 Score: 0.721	Morin precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662