HMDB0040209 RDKit 3D Ethyl hexanoate 26 25 0 0 0 0 0 0 0 0999 V2000 -3.8905 0.1177 -0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8499 0.0374 0.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5369 -0.4774 0.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 0.4490 -0.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2847 -0.1107 -1.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3143 -0.2134 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -1.2019 0.4443 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 0.8085 -0.1643 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2289 0.7499 0.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -0.4754 0.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8335 -0.7945 -0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6421 0.9698 -0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8881 0.2574 0.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7395 1.0214 1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 -0.6813 1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7362 -1.4940 -0.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7703 -0.5738 1.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7606 0.5902 -1.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 1.4517 -0.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6345 0.5506 -2.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1312 -1.1463 -1.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7678 0.7254 1.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8466 1.6772 0.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0496 -0.6451 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1109 -0.2677 0.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6158 -1.3247 1.1016 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 2 0 6 8 1 0 8 9 1 0 9 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 M END