HMDB0034581 RDKit 3D 2-Hexenyl butanoate 30 29 0 0 0 0 0 0 0 0999 V2000 5.1742 0.0416 0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8964 -0.3088 -0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6758 -0.1773 0.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 -0.5616 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5291 0.3240 -0.6045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6247 -0.0912 -1.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8406 -0.0326 -0.7768 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0269 -0.7995 0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0652 -1.5230 0.7249 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3155 -0.7623 1.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2345 0.1880 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7116 1.5824 0.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0471 -0.5206 -0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4249 1.1216 0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0902 -0.2935 1.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9238 -1.3889 -0.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7904 0.2738 -1.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6864 -0.9173 1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5469 0.8328 0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4325 -1.5368 -0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5581 1.3207 -0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6419 0.6482 -2.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4721 -1.0775 -1.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0789 -0.3756 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7469 -1.7581 1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2071 0.1759 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4892 -0.2413 -0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2710 2.2257 1.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9062 1.9497 -0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6395 1.6813 0.6145 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 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 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 5 21 1 0 6 22 1 0 6 23 1 0 10 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 12 30 1 0 M END