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Mrv2104 06072104322D

27 29  0  0  0  0            999 V2000
   -3.6738   -0.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1931   -1.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7436   -1.7383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9467   -1.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9036   -0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2378   -0.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9524   -0.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9524   -1.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2378   -1.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5231   -1.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5231   -0.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0170   -1.0030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4601   -1.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2378    0.5008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1912   -0.3242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3038    0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5892    0.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4344    0.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9943    0.3682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8637    0.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9963    0.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1158    1.0729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3585    1.3046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    0.8680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2008   -0.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0035   -0.4857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9780   -1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  2 12  2  0  0  0  0
  4 13  1  0  0  0  0
  8 13  1  0  0  0  0
  6 14  1  0  0  0  0
 11 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 15  1  0  0  0  0
 17 22  1  0  0  0  0
 16 23  1  0  0  0  0
 21 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  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

PHUB001754 Score: 1.0	5-(3'-hydroxyphenyl)-gamma-valerolactone-4'-O-beta-D-glucuronide metabolite	C₁₇H₂₀O₁₀ Mono mass: 384.105646844
PHUB002146 Score: 0.983	5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronide metabolite	C₁₇H₂₀O₁₀ Mono mass: 384.105646844
PHUB002787 Score: 0.967	5-(4'-Methoxyphenyl)-γ-valerolactone-3'-glucuronide metabolite	C₁₈H₂₂O₁₀ Mono mass: 398.121296908
PHUB001745 Score: 0.949	5-(3'-hydroxyphenyl)-gamma-hydroxyvaleric acid -4'-O-glucuronide metabolite	C₁₇H₂₂O₁₁ Mono mass: 402.116211528
PHUB002238 Score: 0.933	4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide metabolite	C₁₇H₂₂O₁₁ Mono mass: 402.116211528
PHUB001748 Score: 0.923	4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-glucuronide metabolite	C₁₈H₂₄O₁₁ Mono mass: 416.131861593
PHUB002237 Score: 0.906	5-(Phenyl)-γ-valerolactone-3'-glucuronide metabolite	C₁₇H₂₀O₉ Mono mass: 368.110732224
PHUB002390 Score: 0.904	Hydroxytyrosol 4'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002602 Score: 0.904	Hydroxytyrosol 4′-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002391 Score: 0.889	Hydroxytyrosol 3'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB001205 Score: 0.879	Dihydrocaffeic acid-4'-O-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002672 Score: 0.879	Homovanillyl alcohol-4′-O-β-glucuronide metabolite	C₁₅H₂₀O₉ Mono mass: 344.110732224
PHUB002767 Score: 0.877	3-Methoxyphenyllactic acid-4-glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB002766 Score: 0.872	4-Methoxyphenyllactic acid-3-glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB001204 Score: 0.865	Dihydrocaffeic acid-3'-O-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB001340 Score: 0.856	Homovanillic acid glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB001435 Score: 0.856	Dihydroferulic acid-4'-O-glucuronide metabolite	C₁₆H₂₀O₁₀ Mono mass: 372.105646844
PHUB002806 Score: 0.856	3’-methoxy-phenylacetic acid-4’-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002276 Score: 0.854	hexahydrocurcumin glucuronide metabolite	C₂₇H₃₄O₁₂ Mono mass: 550.205026535
PHUB002814 Score: 0.851	4’-methoxy-acetic acid-3’-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002715 Score: 0.831	Rosmarinic acid-3'-glucuronide metabolite	C₂₄H₂₄O₁₄ Mono mass: 536.116605453
PHUB002718 Score: 0.831	4-Methoxyrosmarinic acid-3'-glucuronide metabolite	C₂₅H₂₆O₁₄ Mono mass: 550.132255517
PHUB002719 Score: 0.831	Rosmarinic acid-4-glucuronide metabolite	C₂₄H₂₄O₁₄ Mono mass: 536.116605453
PHUB002723 Score: 0.831	3'-Methoxyrosmarinic acid-4-glucuronide metabolite	C₂₅H₂₆O₁₄ Mono mass: 550.132255517
PHUB002717 Score: 0.827	3-Methoxyrosmarinic acid-3'-glucuronide metabolite	C₂₅H₂₆O₁₄ Mono mass: 550.132255517
PHUB002669 Score: 0.824	Vanillin-4-glucuronide metabolite	C₁₄H₁₆O₉ Mono mass: 328.079432095
PHUB002445 Score: 0.823	3,3'-Dimethoxyrosmarinic acid-4-glucuronide metabolite	C₂₆H₂₈O₁₄ Mono mass: 564.147905582
PHUB002713 Score: 0.823	Rosmarinic acid-3-glucuronide metabolite	C₂₄H₂₄O₁₄ Mono mass: 536.116605453
PHUB002716 Score: 0.823	3'-Methoxyrosmarinic acid-3-glucuronide metabolite	C₂₅H₂₆O₁₄ Mono mass: 550.132255517
PHUB002721 Score: 0.823	3-Methoxyrosmarinic acid-4-glucuronide metabolite	C₂₅H₂₆O₁₄ Mono mass: 550.132255517
PHUB002722 Score: 0.823	4'-Methoxyrosmarinic acid-4-glucuronide metabolite	C₂₅H₂₆O₁₄ Mono mass: 550.132255517