HMDB0010735 RDKit 3D Trans-Hexa-dec-2-enoic acid 48 47 0 0 0 0 0 0 0 0999 V2000 6.1887 2.4869 0.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9550 2.5913 -0.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2896 1.2766 -0.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8431 0.5610 0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1924 -0.7474 0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7198 -1.5153 1.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0821 -2.7961 0.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8947 -2.6256 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1685 -1.8258 0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3893 -1.6314 -0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4081 -0.8264 0.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6498 -0.6083 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6430 0.1979 0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8787 0.4345 -0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2902 1.6502 -0.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4929 1.9221 -1.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2004 0.9763 -1.7316 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8599 3.2235 -1.5666 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0642 2.1167 -0.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4975 3.5085 0.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0971 1.8007 1.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2846 2.9792 -1.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2800 3.3569 -0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 1.4962 -1.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9225 0.6181 -1.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7433 0.2805 1.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 1.1369 1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3231 -0.4760 -0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9323 -1.3888 -0.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0186 -0.8955 1.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5553 -1.7679 1.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7058 -3.2994 1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8305 -3.4965 0.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1306 -2.1935 -1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4683 -3.6343 -0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4049 -2.2706 1.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 -0.7907 0.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7904 -2.6091 -0.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0638 -1.0958 -1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6737 -1.3412 1.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9577 0.1428 0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3553 -0.0972 -1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1398 -1.5539 -0.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1987 1.1525 0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9070 -0.4119 1.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4624 -0.4041 -0.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6786 2.4662 -0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1983 3.9269 -1.8916 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 15 16 1 0 16 17 2 0 16 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 15 47 1 0 18 48 1 0 M END