HMDB0031582 RDKit 3D 6-Methyl-3,5-heptadien-2-one 21 20 0 0 0 0 0 0 0 0999 V2000 3.5251 0.2361 0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 0.1334 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 0.0155 1.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7662 0.1846 -1.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5524 0.1291 -1.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6119 0.0119 -0.8801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6428 -0.0919 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7346 -0.1676 1.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0436 -0.2149 -0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6312 -0.3593 1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1745 -0.2284 -0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 1.2806 0.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6305 0.2740 -1.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5733 0.1967 -2.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3536 -0.0042 -2.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8112 0.0140 1.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1733 0.6021 1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5216 -1.2070 1.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8167 0.2113 -0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0691 0.2992 -1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2283 -1.3150 -0.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 1 10 1 0 1 11 1 0 1 12 1 0 4 13 1 0 5 14 1 0 6 15 1 0 8 16 1 0 8 17 1 0 8 18 1 0 9 19 1 0 9 20 1 0 9 21 1 0 M END