HMDB0032044 RDKit 3D Hexyl 3-methylbutanoate 35 34 0 0 0 0 0 0 0 0999 V2000 4.3218 1.1157 1.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0421 0.5096 0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2962 -0.7447 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0506 -1.3853 -0.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3507 -0.4615 -1.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0935 -1.0561 -2.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8781 -1.4235 -1.4578 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4766 -0.5292 -0.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1105 0.6674 -0.6722 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5286 -0.9558 0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9501 0.2890 1.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5162 1.3356 0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9623 -0.0267 2.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0355 1.7120 1.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0447 0.3444 1.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7878 1.7866 0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3293 0.3437 1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6497 1.2845 -0.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9763 -0.5781 -1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8688 -1.4565 0.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2693 -2.3796 -1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4079 -1.6123 0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1225 0.4858 -1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 -0.1871 -2.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2746 -0.2872 -3.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3331 -1.9442 -2.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1569 -1.7031 1.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4099 -1.3635 -0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0732 0.7398 1.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4452 1.7313 0.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7610 0.8551 -0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7587 2.1375 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4441 -0.2441 3.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5890 0.8789 2.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6439 -0.8519 1.9261 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 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 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 13 35 1 0 M END