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Mrv2104 06072104352D

26 27  0  0  0  0            999 V2000
   -3.1600    0.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8745    0.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8745   -0.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1600   -1.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4456   -0.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4456    0.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1600   -2.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8745   -2.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8745   -3.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5890    0.4493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3035    0.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1600    1.2743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7311    0.4493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0166    0.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4456    1.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4456    2.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7311    2.9243    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0166    2.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3022    2.9243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0166    1.6868    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7311    1.2743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1600    2.9243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3022    1.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7311    3.7493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3022    0.4493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4123    1.6868    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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 20  1  0  0  0  0
 16 22  1  0  0  0  0
 20 23  1  1  0  0  0
 17 24  1  1  0  0  0
 23 25  2  0  0  0  0
 23 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

PHUB001953 Score: 1.0	Methoxyeugenol glucuronide metabolite	C₁₇H₂₂O₉ Mono mass: 370.126382288
PHUB002672 Score: 0.926	Homovanillyl alcohol-4′-O-β-glucuronide metabolite	C₁₅H₂₀O₉ Mono mass: 344.110732224
PHUB002391 Score: 0.904	Hydroxytyrosol 3'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB001340 Score: 0.901	Homovanillic acid glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB001435 Score: 0.901	Dihydroferulic acid-4'-O-glucuronide 86321-28-0 metabolite	C₁₆H₂₀O₁₀ Mono mass: 372.105646844
PHUB002390 Score: 0.898	Hydroxytyrosol 4'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002602 Score: 0.898	Hydroxytyrosol 4′-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB001539 Score: 0.891	rhapontin-3'-glucuronide metabolite	C₂₇H₃₂O₁₅ Mono mass: 596.17412033
PHUB001520 Score: 0.891	Mono-hydroxylated pterostilbene glucuronide metabolite	C₂₂H₂₄O₁₀ Mono mass: 448.136946973
PHUB002669 Score: 0.888	Vanillin-4-glucuronide metabolite	C₁₄H₁₆O₉ Mono mass: 328.079432095
PHUB001538 Score: 0.886	trans-rhapontigenin-3'-O-β-d-glucuronide metabolite	C₂₁H₂₂O₁₀ Mono mass: 434.121296908
PHUB001748 Score: 0.886	4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-glucuronide metabolite	C₁₈H₂₄O₁₁ Mono mass: 416.131861593
PHUB002767 Score: 0.881	3-Methoxyphenyllactic acid-4-glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB001204 Score: 0.879	Dihydrocaffeic acid-3'-O-glucuronide 1187945-71-6 metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002766 Score: 0.876	4-Methoxyphenyllactic acid-3-glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB001205 Score: 0.873	Dihydrocaffeic acid-4'-O-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002238 Score: 0.865	4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide metabolite	C₁₇H₂₂O₁₁ Mono mass: 402.116211528
PHUB001745 Score: 0.859	5-(3'-hydroxyphenyl)-gamma-hydroxyvaleric acid -4'-O-glucuronide metabolite	C₁₇H₂₂O₁₁ Mono mass: 402.116211528
PHUB001443 Score: 0.857	Syringic acid-4-O-glucuronide metabolite	C₁₅H₁₈O₁₁ Mono mass: 374.0849114
PHUB001413 Score: 0.85	Dihydro-resveratrol-3-O-glucuronide metabolite	C₂₀H₂₂O₉ Mono mass: 406.126382288
PHUB001277 Score: 0.842	Isovanillic acid-3-O-glucuronide metabolite	C₁₄H₁₆O₁₀ Mono mass: 344.074346715
PHUB001293 Score: 0.842	Vanillic acid 4-O-glucuronide metabolite	C₁₄H₁₆O₁₀ Mono mass: 344.074346715
PHUB002787 Score: 0.84	5-(4'-Methoxyphenyl)-γ-valerolactone-3'-glucuronide metabolite	C₁₈H₂₂O₁₀ Mono mass: 398.121296908
PHUB001432 Score: 0.839	Isoferulic acid-3'-O-glucuronide 1065272-10-7 metabolite	C₁₆H₁₈O₁₀ Mono mass: 370.08999678
PHUB002709 Score: 0.839	Ferulic acid-3-glucuronide metabolite	C₁₆H₁₈O₁₀ Mono mass: 370.08999678
PHUB001170 Score: 0.838	Ferulic acid-4'-O-glucuronide 86321-24-6 metabolite	C₁₆H₁₈O₁₀ Mono mass: 370.08999678
PHUB001537 Score: 0.837	trans-deoxyrhapontin-5-O-β-d-glucuronide metabolite	C₂₇H₃₂O₁₄ Mono mass: 580.17920571
PHUB001514 Score: 0.836	Pterostilbene-glucuronide metabolite	C₂₂H₂₄O₉ Mono mass: 432.142032353
PHUB001916 Score: 0.833	caffeic acid-3'-O-glucuronide metabolite	C₁₅H₁₆O₁₀ Mono mass: 356.074346715
PHUB001411 Score: 0.832	trans-Resveratrol 3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001481 Score: 0.832	resveratrol-3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001482 Score: 0.832	trans-resveratrol-5-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001504 Score: 0.832	cis-Resveratrol-3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001536 Score: 0.832	trans-deoxyrhapontigenin-3-O-β-d-glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288