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Mrv2104 03222309422D

35 37  0  0  0  0            999 V2000
    2.1433   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1206    1.5669    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5495    1.5445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433   -3.0936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -3.0936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0227    2.7820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2610    0.8004    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1748   -0.0201    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5935    1.2851    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4211   -0.3556    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3349   -1.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8399    0.9497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0147    1.1359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8422   -0.5050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6798    2.1057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5812   -1.5117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0023   -1.6610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7536    0.1292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4062    1.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    4.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1206    4.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495    3.1944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    3.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4062    2.7820    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8350    1.9570    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1206    3.1945    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8351    2.7819    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 13  6  1  0  0  0  0
  8 13  1  1  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 17 18  1  1  0  0  0
 14 20  1  1  0  0  0
 15 21  1  6  0  0  0
 16 22  1  6  0  0  0
 23 18  2  0  0  0  0
 24 18  1  0  0  0  0
 25 17  1  0  0  0  0
 25 26  1  1  0  0  0
 26  5  1  0  0  0  0
 19 16  1  0  0  0  0
 25 19  1  0  0  0  0
 27 32  1  0  0  0  0
 28 31  1  0  0  0  0
 34 29  1  6  0  0  0
 35 30  1  1  0  0  0
 32 31  1  1  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 35  1  0  0  0  0
 27  8  1  0  0  0  0
 12 31  2  0  0  0  0
  8 33  1  0  0  0  0
 33  9  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

PHUB002810 Score: 1.0	Benzoic acid-3,4 di-glucuronide metabolite	C₁₉H₂₂O₁₆ Mono mass: 506.090784628
PHUB001277 Score: 0.926	Isovanillic acid-3-O-glucuronide metabolite	C₁₄H₁₆O₁₀ Mono mass: 344.074346715
PHUB001293 Score: 0.926	Vanillic acid 4-O-glucuronide metabolite	C₁₄H₁₆O₁₀ Mono mass: 344.074346715
PHUB001254 Score: 0.911	3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid metabolite	C₁₃H₁₄O₁₀ Mono mass: 330.058696651
PHUB001288 Score: 0.911	Protocatechuic acid-3-O-glucuronide metabolite	C₁₃H₁₄O₁₀ Mono mass: 330.058696651
PHUB001443 Score: 0.902	Syringic acid-4-O-glucuronide metabolite	C₁₅H₁₈O₁₁ Mono mass: 374.0849114
PHUB001255 Score: 0.884	4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid metabolite	C₁₃H₁₄O₁₀ Mono mass: 330.058696651
PHUB001290 Score: 0.884	Protocatechuic acid-4-O-glucuronide metabolite	C₁₃H₁₄O₁₀ Mono mass: 330.058696651
PHUB002669 Score: 0.863	Vanillin-4-glucuronide metabolite	C₁₄H₁₆O₉ Mono mass: 328.079432095
PHUB002817 Score: 0.842	Benzoic acid-3-glucuronide metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB002798 Score: 0.827	3-(4’-methoxyphenyl)hydracrylic acid-3’- glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB001538 Score: 0.824	trans-rhapontigenin-3'-O-β-d-glucuronide metabolite	C₂₁H₂₂O₁₀ Mono mass: 434.121296908
PHUB002672 Score: 0.821	Homovanillyl alcohol-4′-O-β-glucuronide metabolite	C₁₅H₂₀O₉ Mono mass: 344.110732224
PHUB001539 Score: 0.82	rhapontin-3'-glucuronide metabolite	C₂₇H₃₂O₁₅ Mono mass: 596.17412033
PHUB002818 Score: 0.818	Benzoic acid-3-glucuronide-4-sulfate metabolite	C₁₃H₁₄O₁₃S Mono mass: 410.015511685
PHUB002814 Score: 0.814	4’-methoxy-acetic acid-3’-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002843 Score: 0.814	Phenylacetic acid-3’,4’-di-glucuronide metabolite	C₂₀H₂₄O₁₆ Mono mass: 520.106434693
PHUB002391 Score: 0.81	Hydroxytyrosol 3'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB001340 Score: 0.809	Homovanillic acid glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB001435 Score: 0.809	Dihydroferulic acid-4'-O-glucuronide metabolite	C₁₆H₂₀O₁₀ Mono mass: 372.105646844
PHUB002806 Score: 0.809	3’-methoxy-phenylacetic acid-4’-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002766 Score: 0.807	4-Methoxyphenyllactic acid-3-glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB002390 Score: 0.804	Hydroxytyrosol 4'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002602 Score: 0.804	Hydroxytyrosol 4′-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002767 Score: 0.802	3-Methoxyphenyllactic acid-4-glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB002787 Score: 0.802	5-(4'-Methoxyphenyl)-γ-valerolactone-3'-glucuronide metabolite	C₁₈H₂₂O₁₀ Mono mass: 398.121296908
PHUB001520 Score: 0.801	Mono-hydroxylated pterostilbene glucuronide metabolite	C₂₂H₂₄O₁₀ Mono mass: 448.136946973
PHUB002819 Score: 0.801	Benzoic acid-4-glucuronide-3-sulfate metabolite	C₁₃H₁₄O₁₃S Mono mass: 410.015511685
PHUB001432 Score: 0.8	Isoferulic acid-3'-O-glucuronide metabolite	C₁₆H₁₈O₁₀ Mono mass: 370.08999678
PHUB002709 Score: 0.8	Ferulic acid-3-glucuronide metabolite	C₁₆H₁₈O₁₀ Mono mass: 370.08999678
PHUB001204 Score: 0.799	Dihydrocaffeic acid-3'-O-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB001748 Score: 0.797	4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-glucuronide metabolite	C₁₈H₂₄O₁₁ Mono mass: 416.131861593
PHUB001916 Score: 0.795	caffeic acid-3'-O-glucuronide metabolite	C₁₅H₁₆O₁₀ Mono mass: 356.074346715