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3-(1-carboxy-4-hydroxyphenyl) beta-D-glucuronic acid
  Mrv2104 06072104292D

23 24  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    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
    0.8102    1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6697    0.9036    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6697    0.0786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3842   -0.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0987    0.0786    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0986    0.9035    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3841    1.3160    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3842   -1.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6697   -1.5715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8131   -0.3339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8131    1.3161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3842    2.1411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0986   -1.5714    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 17 22  1  6  0  0  0
 15 20  1  6  0  0  0
 16 21  1  1  0  0  0
 12 11  1  6  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

PHUB001254 Score: 1.0	3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid metabolite	C₁₃H₁₄O₁₀ Mono mass: 330.058696651
PHUB001288 Score: 1.0	Protocatechuic acid-3-O-glucuronide metabolite	C₁₃H₁₄O₁₀ Mono mass: 330.058696651
PHUB001277 Score: 0.983	Isovanillic acid-3-O-glucuronide metabolite	C₁₄H₁₆O₁₀ Mono mass: 344.074346715
PHUB001293 Score: 0.983	Vanillic acid 4-O-glucuronide metabolite	C₁₄H₁₆O₁₀ Mono mass: 344.074346715
PHUB001255 Score: 0.971	4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid metabolite	C₁₃H₁₄O₁₀ Mono mass: 330.058696651
PHUB001290 Score: 0.971	Protocatechuic acid-4-O-glucuronide metabolite	C₁₃H₁₄O₁₀ Mono mass: 330.058696651
PHUB001443 Score: 0.955	Syringic acid-4-O-glucuronide metabolite	C₁₅H₁₈O₁₁ Mono mass: 374.0849114
PHUB002669 Score: 0.915	Vanillin-4-glucuronide metabolite	C₁₄H₁₆O₉ Mono mass: 328.079432095
PHUB002391 Score: 0.877	Hydroxytyrosol 3'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB001204 Score: 0.874	Dihydrocaffeic acid-3'-O-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB001256 Score: 0.873	4-(1-Carboxyphenyl)beta-D-glucuronic acid metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB001582 Score: 0.873	Benzoic acid-4-O-glucuronide metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB002798 Score: 0.872	3-(4’-methoxyphenyl)hydracrylic acid-3’- glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB002390 Score: 0.871	Hydroxytyrosol 4'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002602 Score: 0.871	Hydroxytyrosol 4′-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB001205 Score: 0.867	Dihydrocaffeic acid-4'-O-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002672 Score: 0.857	Homovanillyl alcohol-4′-O-β-glucuronide metabolite	C₁₅H₂₀O₉ Mono mass: 344.110732224
PHUB001435 Score: 0.854	Dihydroferulic acid-4'-O-glucuronide metabolite	C₁₆H₂₀O₁₀ Mono mass: 372.105646844
PHUB000305 Score: 0.851	Gallic acid 4-O-glucoside precursor	C₁₃H₁₆O₁₀ Mono mass: 332.074346715
PHUB001538 Score: 0.85	trans-rhapontigenin-3'-O-β-d-glucuronide metabolite	C₂₁H₂₂O₁₀ Mono mass: 434.121296908
PHUB002238 Score: 0.849	4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide metabolite	C₁₇H₂₂O₁₁ Mono mass: 402.116211528
PHUB001539 Score: 0.846	rhapontin-3'-glucuronide metabolite	C₂₇H₃₂O₁₅ Mono mass: 596.17412033
PHUB000311 Score: 0.844	Protocatechuic acid 4-O-glucoside precursor	C₁₃H₁₆O₉ Mono mass: 316.079432095
PHUB001745 Score: 0.843	5-(3'-hydroxyphenyl)-gamma-hydroxyvaleric acid -4'-O-glucuronide metabolite	C₁₇H₂₂O₁₁ Mono mass: 402.116211528
PHUB002766 Score: 0.841	4-Methoxyphenyllactic acid-3-glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB002767 Score: 0.836	3-Methoxyphenyllactic acid-4-glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB001520 Score: 0.835	Mono-hydroxylated pterostilbene glucuronide metabolite	C₂₂H₂₄O₁₀ Mono mass: 448.136946973
PHUB001340 Score: 0.834	Homovanillic acid glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002806 Score: 0.834	3’-methoxy-phenylacetic acid-4’-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB001748 Score: 0.831	4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-glucuronide metabolite	C₁₈H₂₄O₁₁ Mono mass: 416.131861593
PHUB001953 Score: 0.826	Methoxyeugenol glucuronide metabolite	C₁₇H₂₂O₉ Mono mass: 370.126382288
PHUB001916 Score: 0.819	caffeic acid-3'-O-glucuronide metabolite	C₁₅H₁₆O₁₀ Mono mass: 356.074346715