HMDB0040167 RDKit 3D (±)-3-Octyl acetate 32 31 0 0 0 0 0 0 0 0999 V2000 4.1822 -0.2303 -0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8004 0.4972 0.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4345 0.0339 1.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3737 0.3164 0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0684 -0.1859 0.7545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0522 0.0416 -0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2252 1.5283 -0.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 1.6504 -1.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2582 -0.5347 0.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 -1.4685 -0.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2087 -2.0749 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4126 -1.8366 -1.6621 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7726 -1.2697 -0.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 0.3223 -1.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2786 -0.3381 -0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 0.1652 1.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8945 1.5823 0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 0.5479 2.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4734 -1.0626 1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -0.2421 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3743 1.3808 -0.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1529 0.3977 1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1696 -1.2631 0.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7552 -0.4098 -1.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3449 1.9666 -0.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5307 2.0844 0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0287 1.5288 -2.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1867 0.9588 -1.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7939 2.6934 -1.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4983 -1.8344 0.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0029 -1.7587 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1536 -3.1865 -0.2627 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 6 9 1 0 9 10 1 0 10 11 1 0 10 12 2 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 8 29 1 0 11 30 1 0 11 31 1 0 11 32 1 0 M END