HMDB0037849 RDKit 3D Hexyl 2-methylpropanoate 32 31 0 0 0 0 0 0 0 0999 V2000 4.8205 -1.2901 -0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 -0.5018 -0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1985 0.3640 0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0105 1.1828 0.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7785 0.3970 -0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2948 1.4235 -0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5178 0.8394 -0.8143 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2612 -0.0176 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7957 -0.2846 1.1175 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -0.6220 -0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5027 0.5378 -0.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1499 -1.3972 0.7215 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3988 -0.6419 0.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4338 -2.1381 0.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 -1.6320 -1.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8176 0.1462 -1.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7392 -1.1927 -0.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0441 -0.2367 1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0606 1.0801 0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7709 1.9123 1.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2342 1.8410 -0.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4878 -0.3237 0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 -0.1805 -1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0545 2.0315 -1.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3903 2.0536 0.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4697 -1.2486 -1.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4322 0.1851 -1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9738 1.2483 -1.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6515 1.0966 0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2696 -0.6639 1.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4796 -2.2052 1.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1539 -1.7629 0.3820 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 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 12 32 1 0 M END