HMDB0040392 RDKit 3D Isopropyl tetradecanoate 53 52 0 0 0 0 0 0 0 0999 V2000 7.0650 -0.0921 2.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4721 -0.3312 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2094 0.4993 1.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6439 0.2270 -0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3818 1.0608 -0.3393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7961 0.8347 -1.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4281 -0.5854 -1.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5104 -1.3076 -1.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1175 -0.8715 -0.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0942 0.4450 -0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5974 0.7551 -0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2386 0.7864 -1.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7196 1.1452 -1.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3770 0.0898 -0.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8829 -0.9552 -0.0939 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7434 0.2828 -0.2044 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4278 -0.6812 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9848 -0.0889 1.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6163 -1.1552 -0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3079 0.3678 3.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3260 -1.0969 3.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9992 0.5130 2.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1666 -0.0050 0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2788 -1.4101 1.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4765 1.5553 1.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4795 0.1782 1.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3967 -0.8516 -0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3602 0.5078 -0.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6539 0.7349 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6163 2.1291 -0.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 1.0853 -2.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0651 1.5701 -1.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0711 -0.7128 -3.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -1.1935 -1.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9812 -1.4333 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4942 -2.4207 -1.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4676 -1.6571 -0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3878 -0.8940 -1.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2769 0.4602 0.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3738 1.3029 -0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6957 1.7572 0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0012 0.0361 0.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7533 1.4645 -2.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1624 -0.2351 -1.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8257 2.1355 -0.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2029 1.1236 -2.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7488 -1.5315 0.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9163 0.4378 1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2836 0.6955 2.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1490 -0.8606 2.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5706 -1.0388 0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7220 -0.5442 -1.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4555 -2.2271 -0.5623 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 1 0 5 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 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 12 44 1 0 13 45 1 0 13 46 1 0 17 47 1 0 18 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 19 53 1 0 M END