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Mrv2104 12212309122D

27 29  0  0  1  0            999 V2000
   22.8624  -10.8238    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.8624  -11.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1479  -10.4113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.1479  -12.0613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4334  -10.8238    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.4334  -11.6488    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.0037  -12.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6716  -11.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2580  -13.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3386  -12.3690    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.0830  -13.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7724  -13.8198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1234  -12.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7361  -12.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1650  -12.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1650  -13.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4505  -12.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4505  -13.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7361  -13.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8795  -12.2547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7190  -10.4113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1479   -9.5863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5769  -10.4112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5769  -12.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5769  -12.8863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2914  -11.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4505  -14.7297    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  6  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  6  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 14  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
  6 20  1  1  0  0  0
  5 21  1  6  0  0  0
  3 22  1  1  0  0  0
  1 23  1  6  0  0  0
 24  2  1  1  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 18 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

PHUB002237 Score: 0.976	5-(Phenyl)-γ-valerolactone-3'-glucuronide metabolite	C₁₇H₂₀O₉ Mono mass: 368.110732224
PHUB002133 Score: 0.918	5-n-nonadecylresorcinol glucuronide metabolite	C₃₁H₅₂O₈ Mono mass: 552.366218634
PHUB002146 Score: 0.913	5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronide metabolite	C₁₇H₂₀O₁₀ Mono mass: 384.105646844
PHUB002787 Score: 0.898	5-(4'-Methoxyphenyl)-γ-valerolactone-3'-glucuronide metabolite	C₁₈H₂₂O₁₀ Mono mass: 398.121296908
PHUB001754 Score: 0.896	5-(3'-hydroxyphenyl)-gamma-valerolactone-4'-O-beta-D-glucuronide metabolite	C₁₇H₂₀O₁₀ Mono mass: 384.105646844
PHUB001382 Score: 0.874	3-(3,5-Dihydroxyphenyl)propionic acid glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB001413 Score: 0.869	Dihydro-resveratrol-3-O-glucuronide metabolite	C₂₀H₂₂O₉ Mono mass: 406.126382288
PHUB002238 Score: 0.863	4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide metabolite	C₁₇H₂₂O₁₁ Mono mass: 402.116211528
PHUB002463 Score: 0.851	3-(3′-Hydroxyphenyl)propionic acid-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002802 Score: 0.851	3-(phenyl)-propionic acid-3’-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB001745 Score: 0.847	5-(3'-hydroxyphenyl)-gamma-hydroxyvaleric acid -4'-O-glucuronide metabolite	C₁₇H₂₂O₁₁ Mono mass: 402.116211528
PHUB002844 Score: 0.847	Phenylacetic acid-3’-glucuronide metabolite	C₁₄H₁₆O₉ Mono mass: 328.079432095
PHUB001748 Score: 0.844	4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-glucuronide metabolite	C₁₈H₂₄O₁₁ Mono mass: 416.131861593
PHUB002391 Score: 0.82	Hydroxytyrosol 3'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002389 Score: 0.815	Tyrosol glucuronide metabolite	C₁₄H₁₈O₈ Mono mass: 314.10016754
PHUB002800 Score: 0.814	3-(phenyl)hydracrylic acid-3′-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002766 Score: 0.806	4-Methoxyphenyllactic acid-3-glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB002390 Score: 0.803	Hydroxytyrosol 4'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002602 Score: 0.803	Hydroxytyrosol 4′-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002672 Score: 0.801	Homovanillyl alcohol-4′-O-β-glucuronide metabolite	C₁₅H₂₀O₉ Mono mass: 344.110732224
PHUB002767 Score: 0.801	3-Methoxyphenyllactic acid-4-glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB001411 Score: 0.8	trans-Resveratrol 3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001481 Score: 0.8	resveratrol-3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001482 Score: 0.8	trans-resveratrol-5-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001504 Score: 0.8	cis-Resveratrol-3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001536 Score: 0.8	trans-deoxyrhapontigenin-3-O-β-d-glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB001204 Score: 0.798	Dihydrocaffeic acid-3'-O-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB001537 Score: 0.796	trans-deoxyrhapontin-5-O-β-d-glucuronide metabolite	C₂₇H₃₂O₁₄ Mono mass: 580.17920571
PHUB001586 Score: 0.792	3-Phenylpropionic acid-4'-O-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002848 Score: 0.792	Phenylacetic acid-4’-glucuronide metabolite	C₁₄H₁₆O₉ Mono mass: 328.079432095
PHUB001517 Score: 0.789	Mono-demethylated pterostilbene glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB002814 Score: 0.785	4’-methoxy-acetic acid-3’-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678