HMDB0038274 RDKit 3D 2-Hexenyl isovalerate 33 32 0 0 0 0 0 0 0 0999 V2000 5.4861 -0.3726 -0.9002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2252 0.1357 0.5018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0148 1.0593 0.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8573 0.2771 0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7612 0.0581 0.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6156 -0.7269 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5451 0.0861 0.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7757 -0.3749 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8462 -1.5702 -0.5629 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9155 0.5611 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1975 -0.0733 -0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2804 1.0012 -0.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6170 -1.1737 0.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4939 -0.8768 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7098 -1.0675 -1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5537 0.5412 -1.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1296 0.6968 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1070 -0.7018 1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8719 1.4446 1.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1795 1.8840 -0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9045 -0.1459 -0.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7157 0.4826 1.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4584 -1.6609 0.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8278 -0.9891 -0.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6936 1.4720 -0.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0594 0.8953 0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1173 -0.4954 -1.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0701 0.7545 0.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8684 1.9849 -0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6942 1.1166 -1.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7011 -1.4190 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5510 -0.7350 1.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9796 -2.0680 0.2519 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 11 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 13 33 1 0 M END