HMDB0036211 RDKit 3D Hexyl crotonate 30 29 0 0 0 0 0 0 0 0999 V2000 4.7560 0.0459 0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1742 0.3547 1.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8883 0.1338 2.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0078 -0.4256 1.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4393 -0.7130 -0.1077 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6794 -0.6388 1.3091 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2987 -1.1564 0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4434 -0.2246 -0.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4631 -0.6347 -1.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8752 -0.7160 -1.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5775 0.5293 -0.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 1.2874 0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3108 0.6725 -0.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8290 0.3218 0.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7211 -1.0289 0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8003 0.7650 2.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5158 0.3813 3.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0228 -2.1647 0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -1.2924 1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5487 -0.2554 -1.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5221 0.8056 -0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 0.0966 -2.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1107 -1.5983 -2.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0980 -1.4862 -0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4381 -1.1047 -2.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7196 1.2158 -1.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6317 0.2044 -0.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9232 1.7370 0.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4139 2.1579 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5194 0.6197 0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 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 3 17 1 0 7 18 1 0 7 19 1 0 8 20 1 0 8 21 1 0 9 22 1 0 9 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