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Mrv2104 06072104292D

35 38  0  0  1  0            999 V2000
   -0.0408   -1.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6736   -1.4496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6736   -2.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3880   -2.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3880   -3.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6736   -3.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0408   -3.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0408   -2.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7553   -3.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7553   -4.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4698   -5.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4698   -5.9871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1842   -4.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8987   -5.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6132   -4.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6132   -3.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8987   -3.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1842   -3.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4698   -3.5121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3277   -3.5121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8987   -5.9871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0408   -5.1621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1025   -2.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1025   -1.4496    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8171   -1.0371    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8171   -0.2121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1025    0.2004    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3880   -0.2121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3880   -1.0371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6736    0.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6736    1.0254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0408   -0.2121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1025    1.0254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5315    0.2004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5315   -1.4496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 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
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
  9 19  1  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
 10 22  1  0  0  0  0
  4 23  1  0  0  0  0
 24 23  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  0  0  0  0
 28 30  1  6  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 27 33  1  1  0  0  0
 26 34  1  6  0  0  0
 25 35  1  1  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 100 results

PHUB000670 Score: 0.96	Jaceidin 4'-O-glucuronide precursor	C₂₄H₂₄O₁₄ Mono mass: 536.116605453
PHUB000651 Score: 0.923	5,4'-Dihydroxy-3,3'-dimethoxy-6:7-methylenedioxyflavone 4'-O-glucuronide precursor	C₂₄H₂₂O₁₄ Mono mass: 534.100955388
PHUB000668 Score: 0.917	Isorhamnetin 4'-O-glucoside 58902-89-9 precursor metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000666 Score: 0.907	Isorhamnetin 3-O-glucuronide 36687-76-0 metabolite	C₂₂H₂₀O₁₃ Mono mass: 492.090390704
PHUB000697 Score: 0.905	Myricetin 3-O-glucoside precursor	C₂₁H₂₀O₁₃ Mono mass: 480.090390704
PHUB000650 Score: 0.904	5,3',4'-Trihydroxy-3-methoxy-6:7-methylenedioxyflavone 4'-O-glucuronide precursor	C₂₃H₂₀O₁₄ Mono mass: 520.085305324
PHUB000727 Score: 0.896	Spiraeoside precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000729 Score: 0.896	Quercetin 4'-O-glucoside 20229-56-5 precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000712 Score: 0.896	Quercetin 3-O-glucuronide 22688-79-5 precursor metabolite	C₂₁H₁₈O₁₃ Mono mass: 478.07474064
PHUB000719 Score: 0.882	Quercetin 7,4'-O-diglucoside precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000683 Score: 0.876	Kaempferol 3-O-glucuronide precursor metabolite	C₂₁H₁₈O₁₂ Mono mass: 462.07982602
PHUB000866 Score: 0.873	Apigenin 7-O-glucuronide metabolite	C₂₁H₁₈O₁₁ Mono mass: 446.0849114
PHUB000669 Score: 0.869	Isorhamnetin 7-O-rhamnoside precursor	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000717 Score: 0.866	Quercetin 3-O-xylosyl-glucuronide precursor	C₂₆H₂₆O₁₇ Mono mass: 610.116999377
PHUB000864 Score: 0.859	Apigenin 7-O-diglucuronide precursor metabolite	C₂₇H₂₆O₁₇ Mono mass: 622.116999377
PHUB000858 Score: 0.847	6-Hydroxyluteolin 7-O-rhamnoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000874 Score: 0.846	Chrysoeriol 7-O-(6''-malonyl-glucoside) precursor	C₂₅H₂₄O₁₄ Mono mass: 548.116605453
PHUB000873 Score: 0.837	Chrysoeriol 7-O-(6''-malonyl-apiosyl-glucoside) precursor	C₃₀H₃₂O₁₈ Mono mass: 680.15886419
PHUB000663 Score: 0.83	Isorhamnetin 3-O-galactoside precursor	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000664 Score: 0.83	Isorhamnetin 3-O-glucoside precursor	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000703 Score: 0.83	Quercetin 3,4'-O-diglucoside 29125-80-2 precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000691 Score: 0.829	Kaempferol 7-O-glucoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000704 Score: 0.825	Quercetin 3-O-(6''-malonyl-glucoside) precursor	C₂₄H₂₂O₁₅ Mono mass: 550.095870008
PHUB000667 Score: 0.823	Isorhamnetin 3-O-rutinoside precursor	C₂₂H₂₂O₁₁ Mono mass: 462.116211528
PHUB000660 Score: 0.819	Quercetin 3-O-galactoside precursor metabolite	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000661 Score: 0.819	Isoquercitrin 482-35-9 precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000696 Score: 0.819	Myricetin 3-O-galactoside precursor	C₂₁H₂₀O₁₃ Mono mass: 480.090390704
PHUB000699 Score: 0.819	Myricitrin precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000720 Score: 0.819	Quercitrin precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000665 Score: 0.818	Isorhamnetin 3-O-glucoside 7-O-rhamnoside precursor	C₂₈H₃₂O₁₆ Mono mass: 624.16903495
PHUB000707 Score: 0.817	Quercetin 3-O-acetyl-rhamnoside precursor	C₂₃H₂₂O₁₂ Mono mass: 490.111126148