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Mrv2104 03172310452D

39 41  0  0  1  0            999 V2000
    6.7876    0.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9297    1.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    0.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9295   -0.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465    0.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -0.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007   -1.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    0.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0715    0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9297    0.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3586   -0.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2152   -0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3586    0.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2153    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0732   -0.6186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.0731    0.2062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3587   -1.0311    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3587    0.6188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3587    1.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6441   -0.6186    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7860    1.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0731   -0.9695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7876   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7876    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3587   -1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6441    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0732    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730    0.6804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9297    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9297   -1.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6441    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
  5  9  2  0  0  0  0
  5 14  1  0  0  0  0
  6 10  2  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 14  2  0  0  0  0
 11 20  1  0  0  0  0
 12 15  2  0  0  0  0
 12 21  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  2  0  0  0  0
 18 20  2  0  0  0  0
 18 30  1  0  0  0  0
 19 21  2  0  0  0  0
 19 38  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 31  1  1  0  0  0
 23 25  1  0  0  0  0
 23 32  1  6  0  0  0
 24 27  1  0  0  0  0
 24 33  1  6  0  0  0
 25 26  1  1  0  0  0
 25 39  1  0  0  0  0
 26 34  2  0  0  0  0
 26 35  1  0  0  0  0
 27 38  1  1  0  0  0
 27 39  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

PHUB002793 Score: 1.0	tetrahydrocurcumin glucuronide metabolite	C₂₇H₃₂O₁₂ Mono mass: 548.18937647
PHUB002276 Score: 0.875	hexahydrocurcumin glucuronide metabolite	C₂₇H₃₄O₁₂ Mono mass: 550.205026535
PHUB002792 Score: 0.869	dihydrocurcumin glucuronide metabolite	C₂₇H₃₀O₁₂ Mono mass: 546.173726406
PHUB001435 Score: 0.858	Dihydroferulic acid-4'-O-glucuronide metabolite	C₁₆H₂₀O₁₀ Mono mass: 372.105646844
PHUB002767 Score: 0.85	3-Methoxyphenyllactic acid-4-glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB002766 Score: 0.846	4-Methoxyphenyllactic acid-3-glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB001748 Score: 0.845	4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-glucuronide metabolite	C₁₈H₂₄O₁₁ Mono mass: 416.131861593
PHUB001204 Score: 0.838	Dihydrocaffeic acid-3'-O-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB001205 Score: 0.832	Dihydrocaffeic acid-4'-O-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002672 Score: 0.832	Homovanillyl alcohol-4′-O-β-glucuronide metabolite	C₁₅H₂₀O₉ Mono mass: 344.110732224
PHUB002798 Score: 0.829	3-(4’-methoxyphenyl)hydracrylic acid-3’- glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB002238 Score: 0.826	4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide metabolite	C₁₇H₂₂O₁₁ Mono mass: 402.116211528
PHUB001745 Score: 0.82	5-(3'-hydroxyphenyl)-gamma-hydroxyvaleric acid -4'-O-glucuronide metabolite	C₁₇H₂₂O₁₁ Mono mass: 402.116211528
PHUB001953 Score: 0.814	Methoxyeugenol glucuronide metabolite	C₁₇H₂₂O₉ Mono mass: 370.126382288
PHUB002391 Score: 0.813	Hydroxytyrosol 3'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB001340 Score: 0.812	Homovanillic acid glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002806 Score: 0.812	3’-methoxy-phenylacetic acid-4’-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002814 Score: 0.808	4’-methoxy-acetic acid-3’-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002390 Score: 0.807	Hydroxytyrosol 4'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002602 Score: 0.807	Hydroxytyrosol 4′-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002787 Score: 0.805	5-(4'-Methoxyphenyl)-γ-valerolactone-3'-glucuronide metabolite	C₁₈H₂₂O₁₀ Mono mass: 398.121296908
PHUB001409 Score: 0.796	Curcumin glucuronide metabolite	C₂₇H₂₈O₁₂ Mono mass: 544.158076342
PHUB002146 Score: 0.79	5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronide metabolite	C₁₇H₂₀O₁₀ Mono mass: 384.105646844
PHUB002449 Score: 0.79	3,4'-Dimethoxyrosmarinic acid-4-glucuronide metabolite	C₂₆H₂₈O₁₄ Mono mass: 564.147905582
PHUB002726 Score: 0.79	4'-Methoxyrosmarinic acid-3'-glucuronide metabolite	C₂₅H₂₆O₁₄ Mono mass: 550.132255517
PHUB002728 Score: 0.79	3,4'-Dimethoxyrosmarinic acid-3'-glucuronide metabolite	C₂₆H₂₈O₁₄ Mono mass: 564.147905582
PHUB002733 Score: 0.79	4,4'-Dimethoxyrosmarinic acid-3'-glucuronide metabolite	C₂₆H₂₈O₁₄ Mono mass: 564.147905582
PHUB002446 Score: 0.787	3'-Methoxyrosmarinic acid-4'-glucuronide metabolite	C₂₅H₂₆O₁₄ Mono mass: 550.132255517
PHUB002731 Score: 0.787	3',4-Dimethoxyrosmarinic acid-4'-glucuronide metabolite	C₂₆H₂₈O₁₄ Mono mass: 564.147905582
PHUB002732 Score: 0.787	3,3'-Dimethoxy rosmarinic acid-4'-glucuronide metabolite	C₂₆H₂₈O₁₄ Mono mass: 564.147905582
PHUB002742 Score: 0.787	4,4'-Dimethoxyrosmarinic acid-3-glucuronide metabolite	C₂₆H₂₈O₁₄ Mono mass: 564.147905582