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4-(1-carboxyphenyl) beta-D-glucuronic acid
  Mrv2104 06072104292D

22 23  0  0  0  0            999 V2000
   -0.6187    3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3332    2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3332    1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6187    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0957    1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0957    2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6187   -0.2652    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3332   -0.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3332   -1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6187   -1.9152    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0957   -1.5027    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0957   -0.6777    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6187    3.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0957    4.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3332    4.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6187    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0477   -1.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7622   -1.5027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6187   -2.7402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8102   -1.9152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8102   -0.2652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0477   -2.7402    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
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  4 16  1  0  0  0  0
  7 16  1  6  0  0  0
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 12 21  1  6  0  0  0
 10 19  1  6  0  0  0
 11 20  1  1  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

PHUB001256 Score: 1.0	4-(1-Carboxyphenyl)beta-D-glucuronic acid metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB001582 Score: 1.0	Benzoic acid-4-O-glucuronide metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB002817 Score: 0.908	Benzoic acid-3-glucuronide metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB002389 Score: 0.903	Tyrosol glucuronide metabolite	C₁₄H₁₈O₈ Mono mass: 314.10016754
PHUB001255 Score: 0.899	4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid metabolite	C₁₃H₁₄O₁₀ Mono mass: 330.058696651
PHUB001290 Score: 0.899	Protocatechuic acid-4-O-glucuronide metabolite	C₁₃H₁₄O₁₀ Mono mass: 330.058696651
PHUB002903 Score: 0.892	5-Carboxyresorcinol 3-O-beta-D-Glucuronide metabolite	C₁₃H₁₄O₁₀ Mono mass: 330.05869664
PHUB001586 Score: 0.887	3-Phenylpropionic acid-4'-O-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002848 Score: 0.875	Phenylacetic acid-4’-glucuronide metabolite	C₁₄H₁₆O₉ Mono mass: 328.079432095
PHUB001254 Score: 0.873	3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid metabolite	C₁₃H₁₄O₁₀ Mono mass: 330.058696651
PHUB001288 Score: 0.873	Protocatechuic acid-3-O-glucuronide metabolite	C₁₃H₁₄O₁₀ Mono mass: 330.058696651
PHUB001277 Score: 0.858	Isovanillic acid-3-O-glucuronide metabolite	C₁₄H₁₆O₁₀ Mono mass: 344.074346715
PHUB001293 Score: 0.858	Vanillic acid 4-O-glucuronide metabolite	C₁₄H₁₆O₁₀ Mono mass: 344.074346715
PHUB001443 Score: 0.853	Syringic acid-4-O-glucuronide metabolite	C₁₅H₁₈O₁₁ Mono mass: 374.0849114
PHUB001309 Score: 0.849	Hydroquinone glucuronide metabolite	C₁₂H₁₄O₈ Mono mass: 286.068867411
PHUB000296 Score: 0.848	4-Hydroxybenzoic acid 4-O-glucoside precursor	C₁₃H₁₆O₈ Mono mass: 300.084517475
PHUB002669 Score: 0.842	Vanillin-4-glucuronide metabolite	C₁₄H₁₆O₉ Mono mass: 328.079432095
PHUB001483 Score: 0.839	trans-Resveratrol-4'-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001505 Score: 0.839	cis-Resveratrol-4'-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001198 Score: 0.834	Coumaric acid-4'-O-glucuronide metabolite	C₁₅H₁₆O₉ Mono mass: 340.079432095
PHUB001413 Score: 0.834	Dihydro-resveratrol-3-O-glucuronide metabolite	C₂₀H₂₂O₉ Mono mass: 406.126382288
PHUB002800 Score: 0.83	3-(phenyl)hydracrylic acid-3′-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB001491 Score: 0.829	Dihydro-resveratrol-3,5-diglucuronide metabolite	C₂₆H₃₀O₁₅ Mono mass: 582.158470266
PHUB002390 Score: 0.829	Hydroxytyrosol 4'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002602 Score: 0.829	Hydroxytyrosol 4′-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002463 Score: 0.826	3-(3′-Hydroxyphenyl)propionic acid-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002802 Score: 0.826	3-(phenyl)-propionic acid-3’-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB001517 Score: 0.825	Mono-demethylated pterostilbene glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB002844 Score: 0.821	Phenylacetic acid-3’-glucuronide metabolite	C₁₄H₁₆O₉ Mono mass: 328.079432095
PHUB001514 Score: 0.82	Pterostilbene-glucuronide metabolite	C₂₂H₂₄O₉ Mono mass: 432.142032353
PHUB001205 Score: 0.816	Dihydrocaffeic acid-4'-O-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB001411 Score: 0.815	trans-Resveratrol 3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224