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Mrv2104 06072104292D

19 21  0  0  0  0            999 V2000
   -3.0348   -2.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8598   -2.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2723   -3.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8598   -3.9556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0348   -3.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6223   -3.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0973   -3.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5098   -2.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0973   -1.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2723   -1.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7973   -3.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3848   -2.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7973   -1.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6223   -1.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2139   -1.2288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5598   -2.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4515   -4.5389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3348   -2.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6807   -3.8244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2 10  2  0  0  0  0
  2  3  1  0  0  0  0
  3  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 14  1  0  0  0  0
  1  6  2  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
  5 17  2  0  0  0  0
  8 18  1  0  0  0  0
  7 19  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 39 results

PHUB001398 Score: 1.0	Urolithin D 131086-98-1 metabolite	C₁₃H₈O₆ Mono mass: 260.032087978
PHUB001937 Score: 0.99	Urolithin G metabolite	C₁₃H₈O₅ Mono mass: 244.037173358
PHUB001930 Score: 0.971	Urolithin F metabolite	C₁₃H₈O₆ Mono mass: 260.032087978
PHUB001939 Score: 0.961	3,4,10-Trihydroxyurolithin metabolite	C₁₃H₈O₅ Mono mass: 244.037173358
PHUB001932 Score: 0.96	Urolithin CR metabolite	C₁₃H₈O₅ Mono mass: 244.037173358
PHUB001936 Score: 0.96	3,4,9-Trihydroxyurolithin metabolite	C₁₃H₈O₅ Mono mass: 244.037173358
PHUB001949 Score: 0.952	Urolithin M5 metabolite	C₁₃H₈O₇ Mono mass: 276.027002598
PHUB001945 Score: 0.949	3,4-Dihydroxyurolithin metabolite	C₁₃H₈O₄ Mono mass: 228.042258738
PHUB001928 Score: 0.942	Urolithin E metabolite	C₁₃H₈O₆ Mono mass: 260.032087978
PHUB001934 Score: 0.931	4,9,10-Trihydroxyurolithin metabolite	C₁₃H₈O₅ Mono mass: 244.037173358
PHUB001940 Score: 0.919	Urolithin AR metabolite	C₁₃H₈O₄ Mono mass: 228.042258738
PHUB000298 Score: 0.917	Ellagic acid 476-66-4 precursor metabolite	C₁₄H₆O₈ Mono mass: 302.006267153
PHUB001929 Score: 0.913	Urolithin M6R metabolite	C₁₃H₈O₆ Mono mass: 260.032087978
PHUB001396 Score: 0.909	Urolithin C 165393-06-6 metabolite	C₁₃H₈O₅ Mono mass: 244.037173358
PHUB001941 Score: 0.899	Isourolithin AR metabolite	C₁₃H₈O₄ Mono mass: 228.042258738
PHUB001944 Score: 0.892	4,10-Dihydroxyurolithin metabolite	C₁₃H₈O₄ Mono mass: 228.042258738
PHUB001935 Score: 0.891	isourolithin C metabolite	C₁₃H₈O₅ Mono mass: 244.037173358
PHUB001391 Score: 0.879	Urolithin A 1143-70-0 metabolite	C₁₃H₈O₄ Mono mass: 228.042258738
PHUB001933 Score: 0.875	Urolithin M7R metabolite	C₁₃H₈O₅ Mono mass: 244.037173358
PHUB001947 Score: 0.869	8,9-Dihydroxyurolithin metabolite	C₁₃H₈O₄ Mono mass: 228.042258738
PHUB001927 Score: 0.865	Urolithin M6 1006683-97-1 metabolite	C₁₃H₈O₆ Mono mass: 260.032087978
PHUB001943 Score: 0.861	3,10-Dihydroxyurolithin metabolite	C₁₃H₈O₄ Mono mass: 228.042258738
PHUB001946 Score: 0.851	9,10-Dihydroxyurolithin metabolite	C₁₃H₈O₄ Mono mass: 228.042258738
PHUB001647 Score: 0.838	Isourolithin A 174023-48-4 metabolite	C₁₃H₈O₄ Mono mass: 228.042258738
PHUB001931 Score: 0.837	Urolithin M7 531512-26-2 metabolite	C₁₃H₈O₅ Mono mass: 244.037173358
PHUB001948 Score: 0.828	Urolithin BR metabolite	C₁₃H₈O₃ Mono mass: 212.047344118
PHUB001938 Score: 0.827	8,9,10-Trihydroxyurolithin metabolite	C₁₃H₈O₅ Mono mass: 244.037173358
PHUB000239 Score: 0.82	Esculetin precursor	C₉H₆O₄ Mono mass: 178.026608673
PHUB001394 Score: 0.818	Urolithin B 1139-83-9 metabolite	C₁₃H₈O₃ Mono mass: 212.047344118
PHUB001649 Score: 0.798	Isourolithin B metabolite	C₁₃H₈O₃ Mono mass: 212.047344118