HMDB0032874 RDKit 3D Hexyl formate 23 22 0 0 0 0 0 0 0 0999 V2000 -3.6286 0.0033 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 0.3898 -0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4813 -0.6148 0.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0486 -0.2931 0.8462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7829 -0.2327 -0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2091 0.1002 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0536 0.1731 -1.1422 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3866 0.4719 -0.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7701 0.6607 0.2542 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1061 0.7284 -1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1459 -0.0547 0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7171 -1.0146 -0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 1.4090 0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6727 0.3537 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6305 -1.6552 0.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0038 -0.5604 1.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3714 -1.0970 1.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0263 0.6886 1.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7079 -1.1037 -1.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4083 0.6455 -0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6451 -0.6446 0.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2485 1.0916 0.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1247 0.5550 -1.7007 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 1 0 7 8 1 0 8 9 2 0 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 3 15 1 0 3 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 8 23 1 0 M END