HMDB0038269 RDKit 3D Hexyl 2E-hexenoate 36 35 0 0 0 0 0 0 0 0999 V2000 5.7046 -2.1042 3.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3305 -2.0419 2.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3855 -0.8920 1.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1368 -0.6734 0.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 -1.3959 1.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8308 -1.1245 0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1829 -1.8512 0.4549 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7504 -0.0992 -0.6051 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3789 0.2187 -1.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5796 0.5611 -0.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7555 0.8933 -1.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9122 1.2251 -0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1095 1.5620 -1.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9337 2.7327 -2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2105 -1.1281 3.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5523 -2.3862 4.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3683 -2.8229 2.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 -2.9802 2.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5657 -1.8561 3.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2151 -1.1071 1.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6968 0.0051 2.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1153 0.1409 0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0531 -2.2086 1.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6139 -0.5634 -2.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0816 1.1237 -1.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8952 -0.3415 0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3818 1.3587 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9705 0.0580 -2.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 1.7765 -2.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6670 2.0345 0.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1806 0.3307 0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9681 1.7572 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3090 0.6433 -2.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0703 2.4689 -3.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9383 3.1816 -2.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6978 3.5042 -2.0546 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 5 6 1 0 6 7 2 0 6 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 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 5 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 M END