HMDB0039215 RDKit 3D Hexyl 2-methylbutanoate 35 34 0 0 0 0 0 0 0 0999 V2000 -5.8998 1.0862 0.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8765 0.0737 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4836 0.7032 0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5529 -0.4064 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1189 0.0978 -0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2862 -1.0844 -0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0645 -0.7964 -1.0184 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9123 -0.3245 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -0.1358 1.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3432 -0.0272 -0.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0111 -1.3151 -0.6915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9956 0.5071 1.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4607 0.8055 0.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3929 2.0169 0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6546 1.2548 -0.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4322 0.6891 1.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8552 -0.8033 0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1634 -0.3247 -0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4980 1.4568 -0.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1588 1.0580 1.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6426 -1.2513 0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8395 -0.7637 -1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8176 0.5295 0.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1517 0.8927 -1.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6823 -1.3915 -1.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4978 -1.9514 -0.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5288 0.7166 -1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1713 -1.9060 0.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9286 -1.1616 -1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 -1.9070 -1.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4458 1.3590 1.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 -0.2996 1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6595 1.8983 0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1146 0.2960 1.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7297 0.4088 -0.2396 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 10 12 1 0 12 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 11 28 1 0 11 29 1 0 11 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