HMDB0031094 RDKit 3D Glycerol tributanoate 47 46 0 0 0 0 0 0 0 0999 V2000 -4.0496 -3.0165 1.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1776 -3.6576 0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3798 -2.6015 -0.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4923 -1.8593 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4615 -2.2144 1.4612 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7032 -0.8061 -0.1347 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1619 -0.0699 0.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8173 1.0113 -0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4057 0.4460 -1.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5092 -0.3232 -1.3879 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8629 -1.5468 -0.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9926 -2.2255 -0.3593 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2242 -2.1352 -1.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2641 -1.3869 -0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0286 -1.3170 1.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3265 1.8338 -0.5275 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 3.1425 -0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6247 3.5750 0.5701 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4948 4.0147 -0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 4.0607 0.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6027 4.8910 0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9361 -1.9039 1.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1117 -3.2859 0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 -3.3617 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4441 -4.3215 0.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7582 -4.2714 -0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0658 -1.9565 -1.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7003 -3.1550 -1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8626 -0.6376 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5742 0.4536 1.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4773 1.6475 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 1.3542 -2.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5642 -0.0349 -2.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5602 -2.1937 -2.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2256 -3.1901 -0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2218 -1.9769 -0.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -0.3809 -0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1521 -0.6841 1.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9702 -0.8901 1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9090 -2.3389 1.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1401 5.0211 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0123 3.5520 -1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7205 4.4229 1.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6059 3.0084 1.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3775 5.7949 -0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3987 4.2927 0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9387 5.2207 1.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 8 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 15 40 1 0 19 41 1 0 19 42 1 0 20 43 1 0 20 44 1 0 21 45 1 0 21 46 1 0 21 47 1 0 M END