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Mrv2104 06072104312D

24 25  0  0  0  0            999 V2000
   -0.9526   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2381    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6671    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2381    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6671    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9526    2.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6671    2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9526    1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6671    3.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3816    3.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9526    3.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9526   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2381   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4762   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1907   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1907   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4762   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2381   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4762   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1907   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2381   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9052   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9052   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4762   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 14  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 21  2  0  0  0  0
 19 20  1  0  0  0  0
 14 24  1  0  0  0  0
 15 23  1  0  0  0  0
 16 22  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 100 results

PHUB001586 Score: 1.0	3-Phenylpropionic acid-4'-O-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002389 Score: 0.94	Tyrosol glucuronide metabolite	C₁₄H₁₈O₈ Mono mass: 314.10016754
PHUB002463 Score: 0.93	3-(3′-Hydroxyphenyl)propionic acid-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB001382 Score: 0.907	3-(3,5-Dihydroxyphenyl)propionic acid glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB001205 Score: 0.903	Dihydrocaffeic acid-4'-O-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB001204 Score: 0.887	Dihydrocaffeic acid-3'-O-glucuronide 1187945-71-6 metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB001256 Score: 0.887	4-(1-Carboxyphenyl)beta-D-glucuronic acid metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB001582 Score: 0.887	Benzoic acid-4-O-glucuronide metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB001413 Score: 0.878	Dihydro-resveratrol-3-O-glucuronide metabolite	C₂₀H₂₂O₉ Mono mass: 406.126382288
PHUB001435 Score: 0.876	Dihydroferulic acid-4'-O-glucuronide 86321-28-0 metabolite	C₁₆H₂₀O₁₀ Mono mass: 372.105646844
PHUB001309 Score: 0.86	Hydroquinone glucuronide metabolite	C₁₂H₁₄O₈ Mono mass: 286.068867411
PHUB002767 Score: 0.856	3-Methoxyphenyllactic acid-4-glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB002766 Score: 0.851	4-Methoxyphenyllactic acid-3-glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB002390 Score: 0.85	Hydroxytyrosol 4'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002602 Score: 0.85	Hydroxytyrosol 4′-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002133 Score: 0.849	5-n-nonadecylresorcinol glucuronide metabolite	C₃₁H₅₂O₈ Mono mass: 552.366218634
PHUB001483 Score: 0.838	trans-Resveratrol-4'-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001505 Score: 0.838	cis-Resveratrol-4'-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB002391 Score: 0.835	Hydroxytyrosol 3'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB001198 Score: 0.833	Coumaric acid-4'-O-glucuronide metabolite	C₁₅H₁₆O₉ Mono mass: 340.079432095
PHUB002798 Score: 0.832	3-(4’-methoxyphenyl)hydracrylic acid-3’- glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB001745 Score: 0.832	5-(3'-hydroxyphenyl)-gamma-hydroxyvaleric acid -4'-O-glucuronide metabolite	C₁₇H₂₂O₁₁ Mono mass: 402.116211528
PHUB002672 Score: 0.826	Homovanillyl alcohol-4′-O-β-glucuronide metabolite	C₁₅H₂₀O₉ Mono mass: 344.110732224
PHUB001411 Score: 0.825	trans-Resveratrol 3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001481 Score: 0.825	resveratrol-3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001482 Score: 0.825	trans-resveratrol-5-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001504 Score: 0.825	cis-Resveratrol-3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001536 Score: 0.825	trans-deoxyrhapontigenin-3-O-β-d-glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB001517 Score: 0.824	Mono-demethylated pterostilbene glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB002276 Score: 0.822	hexahydrocurcumin glucuronide metabolite	C₂₇H₃₄O₁₂ Mono mass: 550.205026535
PHUB001537 Score: 0.82	trans-deoxyrhapontin-5-O-β-d-glucuronide metabolite	C₂₇H₃₂O₁₄ Mono mass: 580.17920571
PHUB001514 Score: 0.819	Pterostilbene-glucuronide metabolite	C₂₂H₂₄O₉ Mono mass: 432.142032353