HMDB0029704 RDKit 3D 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1,6-heptadien-3-one 41 41 0 0 0 0 0 0 0 0999 V2000 5.0737 -1.0094 -1.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3489 -0.3394 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3213 0.3728 0.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9466 0.2512 0.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9764 0.9737 1.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 1.5750 2.0783 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 1.0532 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0176 0.4570 -0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4274 0.5246 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1243 1.2805 0.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4246 2.7192 0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4562 0.6671 1.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1831 -0.7561 1.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6407 -1.5119 0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0165 -0.8714 -0.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5116 -0.8445 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4053 -1.6728 -1.7896 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0494 -1.0615 -1.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8121 -1.5340 -1.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3729 -0.3138 0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 1.4455 0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3063 -0.0256 1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6634 -0.7986 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9902 0.7603 -0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1479 1.5980 1.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7231 -0.0893 -0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5641 0.9881 -1.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4472 2.8398 -0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7254 3.1472 -0.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2789 3.3375 1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9661 1.2514 2.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1382 -1.2230 2.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4869 -0.8782 2.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5343 -1.5820 0.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0807 -2.5481 0.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8698 -1.7471 -1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9862 -0.9007 0.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9164 0.0295 -1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 -1.7165 -2.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0886 -2.6772 -1.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5145 -1.1705 -2.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 9 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 7 25 1 0 8 26 1 0 9 27 1 0 11 28 1 0 11 29 1 0 11 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 16 36 1 0 16 37 1 0 16 38 1 0 17 39 1 0 17 40 1 0 17 41 1 0 M END