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Mrv2104 03172309062D

26 28  0  0  0  0            999 V2000
   -0.6529    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3674   -0.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3674   -1.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6529   -1.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0615   -1.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0615   -0.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7759    0.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0819    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7964   -0.3843    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4095    0.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1239   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9524   -1.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1319   -1.1380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5044   -1.6648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6464    0.3843    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3609   -0.0281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0755    0.3843    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0754    1.2093    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3610    1.6219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6464    1.2093    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7900   -0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7900   -0.8530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5044    0.3844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7899    1.6218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9320    1.6218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3610    2.4469    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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 10  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  6  0  0  0
 12 14  2  0  0  0  0
 15  7  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 15 16  1  0  0  0  0
 17 21  1  1  0  0  0
 21 23  1  0  0  0  0
 21 22  2  0  0  0  0
 18 24  1  6  0  0  0
 19 26  1  1  0  0  0
 20 25  1  6  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: 1.0	5-(Phenyl)-γ-valerolactone-3'-glucuronide metabolite	C₁₇H₂₀O₉ Mono mass: 368.110732224
PHUB002146 Score: 0.922	5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronide metabolite	C₁₇H₂₀O₁₀ Mono mass: 384.105646844
PHUB002787 Score: 0.907	5-(4'-Methoxyphenyl)-γ-valerolactone-3'-glucuronide metabolite	C₁₈H₂₂O₁₀ Mono mass: 398.121296908
PHUB001754 Score: 0.906	5-(3'-hydroxyphenyl)-gamma-valerolactone-4'-O-beta-D-glucuronide metabolite	C₁₇H₂₀O₁₀ Mono mass: 384.105646844
PHUB002133 Score: 0.895	5-n-nonadecylresorcinol glucuronide metabolite	C₃₁H₅₂O₈ Mono mass: 552.366218634
PHUB002238 Score: 0.872	4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide metabolite	C₁₇H₂₂O₁₁ Mono mass: 402.116211528
PHUB002463 Score: 0.871	3-(3′-Hydroxyphenyl)propionic acid-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002802 Score: 0.871	3-(phenyl)-propionic acid-3’-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002844 Score: 0.866	Phenylacetic acid-3’-glucuronide metabolite	C₁₄H₁₆O₉ Mono mass: 328.079432095
PHUB001745 Score: 0.856	5-(3'-hydroxyphenyl)-gamma-hydroxyvaleric acid -4'-O-glucuronide metabolite	C₁₇H₂₂O₁₁ Mono mass: 402.116211528
PHUB001748 Score: 0.852	4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-glucuronide metabolite	C₁₈H₂₄O₁₁ Mono mass: 416.131861593
PHUB001382 Score: 0.851	3-(3,5-Dihydroxyphenyl)propionic acid glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB001413 Score: 0.847	Dihydro-resveratrol-3-O-glucuronide metabolite	C₂₀H₂₂O₉ Mono mass: 406.126382288
PHUB002389 Score: 0.834	Tyrosol glucuronide metabolite	C₁₄H₁₈O₈ Mono mass: 314.10016754
PHUB002800 Score: 0.832	3-(phenyl)hydracrylic acid-3′-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002391 Score: 0.828	Hydroxytyrosol 3'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002766 Score: 0.814	4-Methoxyphenyllactic acid-3-glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB002390 Score: 0.811	Hydroxytyrosol 4'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002602 Score: 0.811	Hydroxytyrosol 4′-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB001586 Score: 0.81	3-Phenylpropionic acid-4'-O-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002848 Score: 0.81	Phenylacetic acid-4’-glucuronide metabolite	C₁₄H₁₆O₉ Mono mass: 328.079432095
PHUB002672 Score: 0.809	Homovanillyl alcohol-4′-O-β-glucuronide metabolite	C₁₅H₂₀O₉ Mono mass: 344.110732224
PHUB002767 Score: 0.809	3-Methoxyphenyllactic acid-4-glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB001204 Score: 0.805	Dihydrocaffeic acid-3'-O-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB001333 Score: 0.805	3'-Hydroxyphenylacetic acid-4-glucuronide metabolite	C₁₄H₁₆O₁₀ Mono mass: 344.074346715
PHUB001337 Score: 0.805	4'-Hydroxyphenylacetic acid-3'- glucuronide metabolite	C₁₄H₁₆O₁₀ Mono mass: 344.074346715
PHUB002814 Score: 0.793	4’-methoxy-acetic acid-3’-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002843 Score: 0.793	Phenylacetic acid-3’,4’-di-glucuronide metabolite	C₂₀H₂₄O₁₆ Mono mass: 520.106434693
PHUB002817 Score: 0.791	Benzoic acid-3-glucuronide metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB001205 Score: 0.789	Dihydrocaffeic acid-4'-O-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002276 Score: 0.788	hexahydrocurcumin glucuronide metabolite	C₂₇H₃₄O₁₂ Mono mass: 550.205026535
PHUB001340 Score: 0.787	Homovanillic acid glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678