HMDB0142405 RDKit 3D Urolithin C 3-glucuronide 46 49 0 0 0 0 0 0 0 0999 V2000 -4.6115 1.8838 2.4105 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2207 1.7085 1.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5996 1.6490 1.3167 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4686 1.5634 0.0676 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1095 1.6383 0.2327 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4554 0.4065 0.2514 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3069 0.5553 1.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0059 0.3672 0.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9731 0.5860 1.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3123 0.4051 1.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7017 -0.0011 0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7262 -0.2254 -0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3804 -0.0388 -0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -0.6190 -2.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2588 -0.8100 -2.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5617 -1.1949 -3.6002 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2942 -0.6145 -1.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6089 -0.8243 -1.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6265 -0.6169 -0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9129 -0.8360 -1.4173 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3332 -0.2033 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3162 0.0159 1.2371 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0233 0.0069 0.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0392 -0.2055 -0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3124 -0.6877 0.8596 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5793 -1.8842 0.6792 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6066 -0.8708 0.1228 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5977 -1.1658 1.0617 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9365 0.3484 -0.7010 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3006 0.3084 -1.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1575 1.7350 2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7905 2.4458 -0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2532 0.0828 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7305 0.9131 2.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0278 0.5877 2.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3565 -0.2319 -1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7817 -1.1451 -2.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7448 -0.7339 -0.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2762 -0.1328 0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8124 0.3208 1.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4274 -0.5497 1.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2467 -2.6095 0.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5764 -1.7356 -0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7916 -2.1398 1.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0328 0.4426 -0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7150 0.9908 -2.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 6 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 4 1 0 13 8 1 0 24 17 1 0 24 11 1 0 3 31 1 0 4 32 1 6 6 33 1 6 9 34 1 0 10 35 1 0 13 36 1 0 18 37 1 0 20 38 1 0 22 39 1 0 23 40 1 0 25 41 1 1 26 42 1 0 27 43 1 6 28 44 1 0 29 45 1 6 30 46 1 0 M END