HMDB0240570 RDKit 3D Urolithin c 3-sulfate 30 32 0 0 0 0 0 0 0 0999 V2000 -2.2524 0.9546 -3.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5356 0.7253 -2.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 0.8908 -2.2266 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5277 0.6661 -1.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9121 0.8595 -1.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6988 0.6101 -0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 0.7995 -0.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1401 -0.4252 -0.7787 S 0 0 0 0 0 6 0 0 0 0 0 0 5.6869 -0.0954 -2.1287 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3326 -1.7153 -0.8078 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4193 -0.5874 0.2921 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1527 0.1847 0.9839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7639 -0.0032 1.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0451 0.2365 -0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4026 0.0421 0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0197 -0.3850 1.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3838 -0.5665 1.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0474 -0.9919 2.4777 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1426 -0.3111 0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5191 -0.4742 0.2304 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5354 0.1209 -0.9613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1759 0.3010 -1.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3547 1.1891 -2.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4176 0.0930 1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7206 -0.0200 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3322 -0.3373 1.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4692 -0.5951 2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5581 -1.1998 3.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0945 -0.2928 -0.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1069 0.3269 -1.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 2 0 8 11 1 0 6 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 2 1 0 14 4 1 0 22 15 1 0 5 23 1 0 11 24 1 0 12 25 1 0 13 26 1 0 16 27 1 0 18 28 1 0 20 29 1 0 21 30 1 0 M END