HMDB0040252 RDKit 3D Isobutyl isobutyrate 26 25 0 0 0 0 0 0 0 0999 V2000 1.8414 -1.4756 0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9202 0.0236 0.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3929 0.3330 0.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4768 0.7860 -0.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1609 0.4970 -1.1032 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9507 0.6991 -0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7547 1.1763 0.8324 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3313 0.3953 -0.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5258 -1.0683 -1.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3101 0.8066 0.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 -1.6197 -0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6412 -1.9830 0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8739 -1.9030 0.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3698 0.2977 1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9275 0.1802 -0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8380 -0.2723 1.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5304 1.4049 0.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1464 0.5222 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6462 1.8673 -0.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6351 0.9588 -1.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5682 -1.2474 -2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5198 -1.3962 -0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7634 -1.7203 -0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3073 1.0584 -0.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8588 1.7061 0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3383 -0.0269 1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 3 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 8 20 1 0 9 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