HMDB0240726 RDKit 3D Sebacoyl-L-carnitine 55 54 0 0 0 0 0 0 0 0999 V2000 -5.5801 -1.5133 -0.7601 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7830 -0.7158 0.2024 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.6480 -1.5087 0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6486 -0.5402 1.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5598 0.5571 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5288 1.4390 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6522 2.8131 -0.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4617 2.8687 -1.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 4.0208 -2.3942 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 1.8391 -2.6984 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.2675 0.8970 0.1511 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4664 0.6836 1.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9135 1.0019 2.3506 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0895 0.0908 1.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1799 -0.1184 -0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5276 -0.7238 -0.6234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6033 0.1916 -0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9893 -0.3670 -0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 0.6047 0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4199 0.1482 -0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 -1.1767 0.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0678 -1.5633 0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3616 -2.1230 -0.7516 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0412 -1.3062 1.2616 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2167 -0.8550 -1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1576 -2.2863 -0.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8303 -2.0760 -1.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9653 -2.6011 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3739 -1.4023 1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8048 -1.4351 -0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1017 -0.6360 2.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2157 0.4281 1.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4420 -1.3358 1.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3639 0.3668 -1.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5656 1.0800 -0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7627 1.6118 1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0473 3.5783 0.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7191 3.1255 -0.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6006 0.8794 1.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0142 -0.8169 1.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0726 0.8605 -0.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6105 -0.7712 -0.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6051 -0.8742 -1.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 -1.7092 -0.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5057 1.1770 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4516 0.3007 0.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1017 -1.3097 0.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1242 -0.5286 -1.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8614 1.5790 -0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8140 0.7857 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6196 0.0773 -1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0898 0.8868 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5320 -1.0859 1.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0165 -1.9945 0.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6508 -0.5183 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 6 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 17 46 1 0 18 47 1 0 18 48 1 0 19 49 1 0 19 50 1 0 20 51 1 0 20 52 1 0 21 53 1 0 21 54 1 0 24 55 1 0 M CHG 2 2 1 10 -1 M END