HMDB0033788 RDKit 3D Ethyl dodecanoate 44 43 0 0 0 0 0 0 0 0999 V2000 -5.2188 1.8333 -1.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3339 0.8464 -0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1058 -0.3968 -0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5208 -1.4395 0.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2030 -1.9905 0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9832 -1.1501 0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7328 -1.9361 0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5165 -1.1441 0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5864 0.0753 -0.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8493 0.8317 -0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0908 0.0544 -0.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3017 0.8884 -0.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2975 2.0744 -0.0468 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5294 0.3050 -0.7224 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7357 0.9870 -0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0103 1.4683 0.8188 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5740 1.3344 -2.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0714 2.1610 -0.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5754 2.6919 -1.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0179 1.3352 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5106 0.6206 -1.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2713 -0.8835 -1.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1664 -0.1409 0.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3066 -2.2946 0.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6077 -1.1275 1.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0623 -2.8849 1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1811 -2.5045 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0467 -0.1968 0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9307 -0.9402 1.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7252 -2.8420 0.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8705 -2.2851 -0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3912 -1.7875 0.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5838 -0.8158 1.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 -0.2522 -1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2575 0.7442 -0.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9828 1.2227 0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8505 1.7373 -0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2173 -0.8594 -0.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0768 -0.2065 -1.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8212 1.8102 -1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5579 0.2692 -0.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6004 0.7075 1.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6405 2.3921 0.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0982 1.6879 1.3922 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 2 0 12 14 1 0 14 15 1 0 15 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 15 40 1 0 15 41 1 0 16 42 1 0 16 43 1 0 16 44 1 0 M END