HMDB0037161 RDKit 3D 2-Isopropyl-5-methyl-2-hexenal 29 28 0 0 0 0 0 0 0 0999 V2000 3.6556 0.8034 -0.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3872 0.3271 0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6549 -0.8775 1.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3855 -0.0749 -0.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -0.5493 -0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0423 -0.0186 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2251 1.1338 -1.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3546 1.6639 -1.3662 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2866 -0.5627 0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9219 0.5769 1.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2139 -0.9536 -0.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8025 0.1635 -1.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5324 0.7766 0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 1.8437 -0.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9561 1.1101 0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6485 -0.8319 1.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8849 -0.9040 2.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5238 -1.8371 0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8588 -0.8704 -1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2645 0.7782 -1.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1374 -1.4246 0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4025 1.5918 -1.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -1.3904 1.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2114 1.4220 1.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3217 0.2431 2.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8034 0.9688 0.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8616 -0.0841 -1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 -1.2510 -1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8982 -1.7726 -0.4980 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 2 0 6 7 1 0 7 8 2 0 6 9 1 0 9 10 1 0 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 7 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 11 29 1 0 M END