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Mrv2104 03032308492D

24 26  0  0  0  0            999 V2000
    3.4096   -2.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7350    0.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9807    0.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2662   -1.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6952   -0.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9807   -1.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5916   -0.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2662   -0.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6952   -1.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3060    0.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8771    0.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8771    0.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1626    1.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5916    1.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517    0.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517    0.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3060    0.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0205   -0.2936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1626    2.1813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5916    2.1813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2662    1.3563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4096   -1.5311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0205    1.3563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1626   -0.2936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 16  1  0  0  0  0
  9 22  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 19  2  0  0  0  0
 14 17  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 16 24  1  0  0  0  0
 17 23  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 67 results

PHUB001876 Score: 1.0	Betuletol 35214-88-1 precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000671 Score: 0.954	Kaempferide precursor	C₁₆H₁₁O₆ Mono mass: 299.056111654
PHUB000672 Score: 0.921	Kaempferol precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000886 Score: 0.914	Hispidulin precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000652 Score: 0.911	6,8-Dihydroxykaempferol precursor	C₁₅H₁₀O₈ Mono mass: 318.037567282
PHUB002780 Score: 0.911	Herbacetin 527-95-7 precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000655 Score: 0.91	Axillarin precursor	C₁₇H₁₄O₈ Mono mass: 346.068867411
PHUB000658 Score: 0.907	Galangin precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000662 Score: 0.907	Isorhamnetin precursor metabolite	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000692 Score: 0.906	3-O-Methylgalangin precursor	C₁₆H₁₂O₅ Mono mass: 284.068473486
PHUB000721 Score: 0.895	Rhamnetin precursor	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000693 Score: 0.891	Morin precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000694 Score: 0.886	Myricetin precursor	C₁₅H₁₀O₈ Mono mass: 318.037567282
PHUB000702 Score: 0.886	Quercetin 117-39-5 precursor metabolite	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000900 Score: 0.885	Nepetin precursor	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000879 Score: 0.879	Cirsimaritin precursor	C₁₇H₁₄O₆ Mono mass: 314.079038171
PHUB000890 Score: 0.869	Jaceosidin precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000656 Score: 0.868	Chrysosplenetin precursor	C₁₉H₁₈O₈ Mono mass: 374.10016754
PHUB000647 Score: 0.865	3,7-Dimethylquercetin precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000882 Score: 0.863	Eupatilin precursor	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB000908 Score: 0.863	Tetramethylscutellarein precursor	C₁₉H₁₈O₆ Mono mass: 342.1103383
PHUB000659 Score: 0.862	Galangin 3,5,7-trimethyl ether precursor	C₁₈H₁₆O₅ Mono mass: 312.099773615
PHUB000905 Score: 0.861	Scutellarein precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000878 Score: 0.858	Cirsiliol precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000883 Score: 0.858	Eupatorin precursor	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB002994 Score: 0.858	5,3′-didemethylsinensetin metabolite	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB000649 Score: 0.853	3-Methoxysinensetin precursor	C₂₁H₂₂O₈ Mono mass: 402.131467668
PHUB000884 Score: 0.85	Gardenin B precursor	C₁₉H₁₈O₇ Mono mass: 358.10525292
PHUB000657 Score: 0.848	Fisetin precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000868 Score: 0.848	Baicalein precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000877 Score: 0.842	Cirsilineol precursor	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB002995 Score: 0.842	5,4′-didemethylsinensetin metabolite	C₁₈H₁₆O₇ Mono mass: 344.089602855