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2,4,6-trihydrophenanthrene 2-O-glucoside
  Mrv2104 06072104212D

28 31  0  0  0  0            999 V2000
    0.3192    1.6498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8446    2.8512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3606   -0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0681   -0.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7894   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8032    0.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5245    0.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5383    1.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8308    2.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1095    1.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0957    0.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3744    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3330    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0543    0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0681   -0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3606   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7894   -0.8010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4968   -0.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2113    0.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4968    0.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2113   -0.7891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9258   -0.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9258    0.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7824    0.8609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2113    1.6859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6402    0.8609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6402   -0.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3547   -0.3766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13  1  1  0  0  0  0
  9  2  1  0  0  0  0
 12  3  1  0  0  0  0
 16  3  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
 11  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
 20 18  1  0  0  0  0
 18 21  1  0  0  0  0
 20 24  1  0  0  0  0
 19 25  1  0  0  0  0
 23 26  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  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 — 20 of approximately 20 results

PHUB000332 Score: 1.0	2,4,6-Trihydroxyphenanthrene 2-O-glucoside precursor	C₂₀H₂₀O₈ Mono mass: 388.115817604
PHUB000568 Score: 0.864	Arbutin precursor	C₁₂H₁₆O₇ Mono mass: 272.089602855
PHUB003023 Score: 0.768	Resorcinol glucuronide metabolite	C₁₂H₁₄O₈ Mono mass: 286.068867411
PHUB001532 Score: 0.762	dihydro-piceid metabolite	C₂₀H₂₄O₈ Mono mass: 392.147117733
PHUB000325 Score: 0.753	Piceid (trans-) precursor metabolite	C₂₀H₂₂O₈ Mono mass: 390.131467668
PHUB000326 Score: 0.753	Resveratrol 5-O-glucoside precursor	C₂₀H₂₂O₈ Mono mass: 390.131467668
PHUB000334 Score: 0.753	Piceid (cis-) precursor metabolite	C₂₀H₂₂O₈ Mono mass: 390.131467668
PHUB001542 Score: 0.753	Deoxyrhapontin precursor	C₂₁H₂₄O₈ Mono mass: 404.147117733
PHUB001493 Score: 0.748	5-methoxyresveratrol-3-O-β-glucoside metabolite	C₂₁H₂₄O₈ Mono mass: 404.147117733
PHUB000321 Score: 0.743	Piceatannol 3-O-glucoside precursor	C₂₀H₂₂O₉ Mono mass: 406.126382288
PHUB001550 Score: 0.743	Oxyresveratrol-4-O-β-D-glucoside metabolite	C₂₀H₂₂O₉ Mono mass: 406.126382288
PHUB000339 Score: 0.736	Resveratrol 4'-glucoside precursor	C₂₀H₂₂O₈ Mono mass: 390.131467668
PHUB001506 Score: 0.736	Resveratroloside metabolite	C₂₀H₂₂O₈ Mono mass: 390.131467668
PHUB001543 Score: 0.733	rhapontin precursor	C₂₁H₂₄O₉ Mono mass: 420.142032353
PHUB001549 Score: 0.733	Mulberroside A precursor	C₂₆H₃₂O₁₄ Mono mass: 568.17920571
PHUB001551 Score: 0.733	Oxyresveratrol 3′-O-β-D-glucoside metabolite	C₂₀H₂₂O₉ Mono mass: 406.126382288
PHUB001573 Score: 0.733	Rhaponticin precursor	C₂₁H₂₄O₉ Mono mass: 420.142032353
PHUB001309 Score: 0.727	Hydroquinone glucuronide metabolite	C₁₂H₁₄O₈ Mono mass: 286.068867411
PHUB000296 Score: 0.713	4-Hydroxybenzoic acid 4-O-glucoside precursor	C₁₃H₁₆O₈ Mono mass: 300.084517475
PHUB002773 Score: 0.707	Linusitamarin 152574-10-2 precursor	C₁₇H₂₂O₉ Mono mass: 370.126382288
PHUB002192 Score: 0.704	Pyrogallol 2-O-glucuronide metabolite	C₁₂H₁₄O₉ Mono mass: 302.063782031