HMDB0245306 RDKit 3D 2-Propylpent-2-enoic acid 24 23 0 0 0 0 0 0 0 0999 V2000 -2.9130 0.8604 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2398 0.3979 0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7991 0.3166 0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0322 -0.7308 0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4699 -0.5653 0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8333 0.8412 -0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3498 0.8833 -0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4350 -2.0660 0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4289 -2.9952 0.7651 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7374 -2.4253 0.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7922 1.9692 -1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4521 0.3422 -1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9899 0.6139 -0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6952 -0.5578 0.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 1.1211 1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 1.3018 -0.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9317 -0.9069 1.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7904 -1.2219 -0.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4267 1.1475 -1.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5836 1.5602 0.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6531 0.7842 -1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8230 0.0342 0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7783 1.8235 0.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 -2.5280 1.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 4 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 5 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 7 23 1 0 10 24 1 0 M END