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Mrv2104 06072104242D

38 41  0  0  0  0            999 V2000
   -2.9524    3.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6669    2.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6669    1.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9524    1.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2380    1.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2380    2.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5235    3.1822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5235    1.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8090    1.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8090    2.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0946    3.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6199    4.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0946    4.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6199    2.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3344    3.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3344    4.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5235    0.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0946    1.5321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3814    3.1821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9524    0.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0488    4.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8090    0.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8090   -0.5304    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0945   -0.9429    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6199   -0.5304    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6199    0.2946    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0946    0.7071    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3344    0.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3344   -0.9429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0945   -1.7679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5235   -0.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5235   -1.7679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3814   -1.7679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6669   -2.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9524   -1.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2380   -2.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6669   -3.0054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2380   -3.0054    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
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  7  6  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  2  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 13 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 27 18  1  1  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 31  1  1  0  0  0
 24 25  1  0  0  0  0
 24 30  1  6  0  0  0
 25 26  1  0  0  0  0
 25 29  1  1  0  0  0
 26 27  1  0  0  0  0
 26 28  1  6  0  0  0
 31 32  1  0  0  0  0
 36 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 37  2  0  0  0  0
 35 36  1  0  0  0  0
 36 38  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 100 results

PHUB000677 Score: 1.0	Kaempferol 3-O-(6''-malonyl-glucoside) precursor	C₂₄H₂₂O₁₄ Mono mass: 534.100955388
PHUB000704 Score: 0.984	Quercetin 3-O-(6''-malonyl-glucoside) precursor	C₂₄H₂₂O₁₅ Mono mass: 550.095870008
PHUB000679 Score: 0.98	Kaempferol 3-O-acetyl-glucoside precursor	C₂₃H₂₂O₁₂ Mono mass: 490.111126148
PHUB000705 Score: 0.961	Quercetin 3-O-(6''-malonyl-glucoside) 7-O-glucoside precursor	C₃₀H₃₂O₂₀ Mono mass: 712.14869343
PHUB000678 Score: 0.956	Kaempferol 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside precursor	C₂₉H₃₂O₁₆ Mono mass: 636.16903495
PHUB000707 Score: 0.952	Quercetin 3-O-acetyl-rhamnoside precursor	C₂₃H₂₂O₁₂ Mono mass: 490.111126148
PHUB000706 Score: 0.941	Quercetin 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside precursor	C₂₉H₃₂O₁₇ Mono mass: 652.16394957
PHUB000681 Score: 0.927	Kaempferol 3-O-glucosyl-rhamnosyl-galactoside precursor	C₃₃H₄₀O₂₀ Mono mass: 756.211293688
PHUB000682 Score: 0.927	Kaempferol 3-O-glucosyl-rhamnosyl-glucoside precursor	C₃₃H₄₀O₂₀ Mono mass: 756.211293688
PHUB000686 Score: 0.927	Kaempferol 3-O-rutinoside precursor	C₂₇H₃₀O₁₅ Mono mass: 594.158470266
PHUB000689 Score: 0.927	Kaempferol 3-O-xylosyl-glucoside precursor	C₂₆H₂₈O₁₅ Mono mass: 580.142820202
PHUB000690 Score: 0.927	Kaempferol 3-O-xylosyl-rutinoside precursor	C₃₃H₄₀O₁₉ Mono mass: 740.216379068
PHUB000685 Score: 0.923	Kaempferol 3-O-rhamnosyl-rhamnosyl-glucoside precursor	C₃₃H₄₀O₁₉ Mono mass: 740.216379068
PHUB000675 Score: 0.922	Kaempferol 3-O-(2''-rhamnosyl-6''-acetyl-galactoside) 7-O-rhamnoside precursor	C₃₄H₄₀O₂₁ Mono mass: 784.206208308
PHUB000698 Score: 0.92	Myricetin 3-O-rutinoside precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000709 Score: 0.92	Quercetin 3-O-glucosyl-rhamnosyl-galactoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000710 Score: 0.92	Quercetin 3-O-glucosyl-rhamnosyl-glucoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000711 Score: 0.92	Quercetin 3-O-glucosyl-xyloside precursor	C₂₆H₂₈O₁₆ Mono mass: 596.137734822
PHUB000714 Score: 0.92	Quercetin 3-O-rhamnosyl-rhamnosyl-glucoside precursor	C₃₃H₄₀O₂₀ Mono mass: 756.211293688
PHUB000722 Score: 0.92	Rutin precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000687 Score: 0.919	Kaempferol 3-O-sophoroside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000653 Score: 0.918	Kaempferol 3-O-glucoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000684 Score: 0.918	Kaempferol 3-O-rhamnoside precursor	C₂₁H₁₉O₁₀ Mono mass: 431.098370392
PHUB000728 Score: 0.918	Trifolin precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000717 Score: 0.913	Quercetin 3-O-xylosyl-glucuronide precursor	C₂₆H₂₆O₁₇ Mono mass: 610.116999377
PHUB000713 Score: 0.912	Quercetin 3-O-rhamnosyl-galactoside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000715 Score: 0.912	Quercetin 3-O-sophoroside precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000718 Score: 0.912	Quercetin 3-O-xylosyl-rutinoside precursor	C₃₂H₃₈O₂₀ Mono mass: 742.195643624
PHUB000660 Score: 0.912	Quercetin 3-O-galactoside precursor metabolite	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000661 Score: 0.912	Isoquercitrin 482-35-9 precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084