HMDB0031230 RDKit 3D 2-Ethylhexanoic acid 26 25 0 0 0 0 0 0 0 0999 V2000 -3.4908 -0.9487 -0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1946 -0.3524 -0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5561 0.4039 0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2659 1.0526 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7901 0.0778 -0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0177 0.9095 -0.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1650 0.1066 -1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0982 -0.9521 0.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9404 -2.1960 0.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5834 -0.5826 1.9214 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0799 -0.1653 0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1257 -1.3692 -0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2775 -1.7355 0.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5042 0.3097 -1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5794 -1.1929 -0.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2629 1.2142 0.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4973 -0.2728 1.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4815 1.7678 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1085 1.6166 1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 -0.4237 -1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3186 1.4048 0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7506 1.6543 -1.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2582 -0.8992 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1080 0.6541 -0.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 0.0375 -2.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4718 -0.1191 1.9998 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 5 8 1 0 8 9 2 0 8 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 7 25 1 0 10 26 1 0 M END