HMDB0032452 RDKit 3D 1-Octen-3-yl acetate 30 29 0 0 0 0 0 0 0 0999 V2000 -2.4829 -2.3437 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5279 -1.7522 0.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -0.3457 0.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1452 -0.3366 -0.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2889 -1.0634 0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -1.0583 -0.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9844 0.3513 -0.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3201 1.0512 0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1315 0.4282 -0.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6148 1.5519 0.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6942 2.4065 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0970 1.8653 1.6039 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9913 -1.8292 -0.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7897 -3.3605 0.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0661 -2.3325 1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 0.1024 1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4637 0.6896 -0.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0558 -0.8298 -1.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5067 -0.7080 1.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9943 -2.1423 0.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3652 -1.5876 -0.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3111 -1.5466 -1.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9524 0.2996 -1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2768 0.9319 -1.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0798 0.4515 0.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 2.0761 0.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4219 1.1022 1.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6218 3.4273 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6763 1.9924 0.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6484 2.5090 -1.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 3 9 1 0 9 10 1 0 10 11 1 0 10 12 2 0 1 13 1 0 1 14 1 0 2 15 1 0 3 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 11 28 1 0 11 29 1 0 11 30 1 0 M END