HMDB0040298 RDKit 3D Ethyl 2-ethylbutanoate 26 25 0 0 0 0 0 0 0 0999 V2000 3.4998 -0.2225 0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6915 0.0890 -0.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3286 -0.2496 -0.8215 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6208 0.3714 0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2131 1.2079 0.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 0.1007 0.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0426 -1.3513 0.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4736 -1.6644 1.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6277 0.5466 -0.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 2.0181 -0.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4882 -0.5871 -0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9658 -0.9752 0.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6674 0.6773 0.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1326 -0.3794 -1.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8034 1.1987 -1.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1329 0.7067 1.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7179 -2.0123 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4351 -1.6574 1.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0904 -1.7143 0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5094 -2.6920 1.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9248 -1.0007 1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7002 0.2942 -0.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2811 0.0134 -1.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3737 2.6010 -0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1821 2.2225 -2.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 2.4588 -0.3636 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 6 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 6 16 1 0 7 17 1 0 7 18 1 0 8 19 1 0 8 20 1 0 8 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