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25201489
  Mrv2104 06072104242D

22 24  0  0  0  0            999 V2000
    5.2223    0.3510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -2.1526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -2.1240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.2990    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.1347    0.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.5885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6743   -1.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6743    0.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219   -0.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219   -0.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 13  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  1  0  0  0  0
  5 15  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 10 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  CHG  1   4  -1
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 70 results

PHUB000671 Score: 1.0	Kaempferide precursor	C₁₆H₁₁O₆ Mono mass: 299.056111654
PHUB000672 Score: 0.965	Kaempferol precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB001876 Score: 0.954	Betuletol 35214-88-1 precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000658 Score: 0.951	Galangin precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000693 Score: 0.933	Morin precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000662 Score: 0.923	Isorhamnetin precursor metabolite	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000721 Score: 0.923	Rhamnetin precursor	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000692 Score: 0.922	3-O-Methylgalangin precursor	C₁₆H₁₂O₅ Mono mass: 284.068473486
PHUB000694 Score: 0.914	Myricetin precursor	C₁₅H₁₀O₈ Mono mass: 318.037567282
PHUB000702 Score: 0.914	Quercetin 117-39-5 precursor metabolite	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000652 Score: 0.903	6,8-Dihydroxykaempferol precursor	C₁₅H₁₀O₈ Mono mass: 318.037567282
PHUB002780 Score: 0.903	Herbacetin 527-95-7 precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000659 Score: 0.877	Galangin 3,5,7-trimethyl ether precursor	C₁₈H₁₆O₅ Mono mass: 312.099773615
PHUB000657 Score: 0.875	Fisetin precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000886 Score: 0.868	Hispidulin precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000647 Score: 0.867	3,7-Dimethylquercetin precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000655 Score: 0.867	Axillarin precursor	C₁₇H₁₄O₈ Mono mass: 346.068867411
PHUB000905 Score: 0.851	Scutellarein precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000862 Score: 0.846	Apigenin 7,4'-dimethyl ether precursor	C₁₇H₁₄O₅ Mono mass: 298.084123551
PHUB000880 Score: 0.842	Diosmetin precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000900 Score: 0.841	Nepetin precursor	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000861 Score: 0.84	Apigenin 520-36-5 precursor metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000868 Score: 0.838	Baicalein precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000879 Score: 0.834	Cirsimaritin precursor	C₁₇H₁₄O₆ Mono mass: 314.079038171
PHUB001880 Score: 0.832	Tectochrysin 520-28-5 precursor	C₁₆H₁₂O₄ Mono mass: 268.073558866
PHUB000656 Score: 0.828	Chrysosplenetin precursor	C₁₉H₁₈O₈ Mono mass: 374.10016754
PHUB000870 Score: 0.826	Chrysin precursor	C₁₅H₁₀O₄ Mono mass: 254.057908802
PHUB000871 Score: 0.826	Chrysoeriol precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000890 Score: 0.825	Jaceosidin precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000857 Score: 0.825	6-Hydroxyluteolin precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662