HMDB0029556 RDKit 3D Glycerol tribenzoate 50 52 0 0 0 0 0 0 0 0999 V2000 -1.8687 -2.2755 -2.5761 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7548 -2.2577 -1.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8423 -1.1606 -0.9148 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1442 0.0000 -0.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7291 0.0305 -0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -0.7103 -1.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5808 -0.3838 -0.6492 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9961 -0.6691 0.6274 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1941 -1.2606 1.3986 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3469 -0.2981 1.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2294 0.3479 0.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4909 0.6865 0.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8724 0.3895 2.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0031 -0.2580 2.8542 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7272 -0.6005 2.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3472 1.4293 -0.4873 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0381 2.1211 0.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0928 1.5306 1.7837 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 3.5451 0.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4266 4.2104 -0.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8013 5.5458 -0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1051 6.2167 0.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0315 5.5326 1.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6598 4.2032 1.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6379 -3.4373 -1.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6413 -3.5065 -0.6358 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4708 -4.6118 -0.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3093 -5.6827 -1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3217 -5.6427 -2.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4878 -4.5228 -2.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7096 0.6807 -0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1919 0.6243 -1.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6843 -0.2131 0.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1675 -1.8233 -1.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2784 -0.3851 -2.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9769 0.6028 -0.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1713 1.1928 0.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8510 0.6401 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2528 -0.5194 3.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0304 -1.1066 3.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1895 3.6944 -1.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8544 6.0744 -1.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3983 7.2489 0.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2614 6.0120 2.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6032 3.6654 2.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7810 -2.6692 0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2655 -4.6749 0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9276 -6.5697 -1.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1866 -6.4975 -2.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7057 -4.4883 -3.1566 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 5 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 2 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 15 10 1 0 24 19 1 0 30 25 1 0 4 31 1 0 4 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 11 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 15 40 1 0 20 41 1 0 21 42 1 0 22 43 1 0 23 44 1 0 24 45 1 0 26 46 1 0 27 47 1 0 28 48 1 0 29 49 1 0 30 50 1 0 M END