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Mrv2104 12212309452D

26 28  0  0  1  0            999 V2000
   15.3968  -13.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0647  -13.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6511  -14.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7317  -13.8296    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.4761  -14.6140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1656  -15.2804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5165  -13.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1292  -14.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5581  -14.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5581  -14.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8436  -13.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8436  -15.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1292  -14.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2726  -15.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2725  -16.1904    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.9871  -16.6029    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.9871  -17.4279    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.2725  -17.8404    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.5581  -16.6029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5581  -17.4279    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.7015  -16.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7015  -17.8404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2725  -18.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8436  -17.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1292  -17.4278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8436  -18.6653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  6  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11  8  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 15 14  1  1  0  0  0
 16 17  1  0  0  0  0
 16 15  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
 16 21  1  6  0  0  0
 17 22  1  1  0  0  0
 18 23  1  6  0  0  0
 20 24  1  1  0  0  0
 24 25  2  0  0  0  0
 24 26  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

PHUB002237 Score: 0.935	5-(Phenyl)-γ-valerolactone-3'-glucuronide metabolite	C₁₇H₂₀O₉ Mono mass: 368.110732224
PHUB001754 Score: 0.91	5-(3'-hydroxyphenyl)-gamma-valerolactone-4'-O-beta-D-glucuronide metabolite	C₁₇H₂₀O₁₀ Mono mass: 384.105646844
PHUB002146 Score: 0.894	5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronide metabolite	C₁₇H₂₀O₁₀ Mono mass: 384.105646844
PHUB002389 Score: 0.894	Tyrosol glucuronide metabolite	C₁₄H₁₈O₈ Mono mass: 314.10016754
PHUB002787 Score: 0.88	5-(4'-Methoxyphenyl)-γ-valerolactone-3'-glucuronide metabolite	C₁₈H₂₂O₁₀ Mono mass: 398.121296908
PHUB001586 Score: 0.867	3-Phenylpropionic acid-4'-O-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002848 Score: 0.867	Phenylacetic acid-4’-glucuronide metabolite	C₁₄H₁₆O₉ Mono mass: 328.079432095
PHUB001745 Score: 0.859	5-(3'-hydroxyphenyl)-gamma-hydroxyvaleric acid -4'-O-glucuronide metabolite	C₁₇H₂₂O₁₁ Mono mass: 402.116211528
PHUB002238 Score: 0.844	4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide metabolite	C₁₇H₂₂O₁₁ Mono mass: 402.116211528
PHUB001748 Score: 0.835	4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-glucuronide metabolite	C₁₈H₂₄O₁₁ Mono mass: 416.131861593
PHUB002133 Score: 0.833	5-n-nonadecylresorcinol glucuronide metabolite	C₃₁H₅₂O₈ Mono mass: 552.366218634
PHUB001256 Score: 0.825	4-(1-Carboxyphenyl)beta-D-glucuronic acid metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB001582 Score: 0.825	Benzoic acid-4-O-glucuronide metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB001413 Score: 0.818	Dihydro-resveratrol-3-O-glucuronide metabolite	C₂₀H₂₂O₉ Mono mass: 406.126382288
PHUB002844 Score: 0.816	Phenylacetic acid-3’-glucuronide metabolite	C₁₄H₁₆O₉ Mono mass: 328.079432095
PHUB002390 Score: 0.814	Hydroxytyrosol 4'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002602 Score: 0.814	Hydroxytyrosol 4′-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002463 Score: 0.81	3-(3′-Hydroxyphenyl)propionic acid-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002802 Score: 0.81	3-(phenyl)-propionic acid-3’-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002391 Score: 0.8	Hydroxytyrosol 3'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB001198 Score: 0.798	Coumaric acid-4'-O-glucuronide metabolite	C₁₅H₁₆O₉ Mono mass: 340.079432095
PHUB001309 Score: 0.796	Hydroquinone glucuronide metabolite	C₁₂H₁₄O₈ Mono mass: 286.068867411
PHUB001382 Score: 0.792	3-(3,5-Dihydroxyphenyl)propionic acid glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB001483 Score: 0.792	trans-Resveratrol-4'-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001505 Score: 0.792	cis-Resveratrol-4'-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB002767 Score: 0.791	3-Methoxyphenyllactic acid-4-glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB001205 Score: 0.791	Dihydrocaffeic acid-4'-O-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002672 Score: 0.791	Homovanillyl alcohol-4′-O-β-glucuronide metabolite	C₁₅H₂₀O₉ Mono mass: 344.110732224
PHUB002852 Score: 0.791	3’-hydroxyphenyl-acetic acid- 4’-glucuronide metabolite	C₁₄H₁₆O₁₀ Mono mass: 344.074346715
PHUB002766 Score: 0.787	4-Methoxyphenyllactic acid-3-glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB001411 Score: 0.78	trans-Resveratrol 3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224