HMDB0040210 RDKit 3D 2-Propenyl hexanoate 27 26 0 0 0 0 0 0 0 0999 V2000 -5.4867 0.7278 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6364 -0.2583 -0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3111 0.0318 -0.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2914 -0.3879 0.0035 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9681 -0.2105 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7436 0.3263 -1.4918 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1506 -0.6488 0.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -0.3072 -0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6416 -0.7292 0.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8965 -0.3653 -0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8535 1.1382 -0.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2468 1.7529 -0.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4432 0.4850 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8749 -1.2855 -0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2633 -0.4529 -1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1999 1.1223 -1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0767 -0.1503 1.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0281 -1.7381 0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5219 0.7596 -0.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4577 -0.8664 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5828 -1.7843 0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6436 -0.1090 1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 -0.8210 -1.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 -0.6778 0.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 1.3891 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3418 1.5858 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9061 1.4738 -0.3755 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 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 3 15 1 0 3 16 1 0 7 17 1 0 7 18 1 0 8 19 1 0 8 20 1 0 9 21 1 0 9 22 1 0 10 23 1 0 10 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 M END