HMDB0035245 RDKit 3D 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one 37 37 0 0 0 0 0 0 0 0999 V2000 5.3076 -0.3594 0.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9448 -0.3090 1.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -0.1290 0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2451 -0.0423 -0.9184 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5233 -0.0537 0.6467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5516 0.1057 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 0.1696 0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 1.5323 -0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4279 2.7143 0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5756 1.7008 -0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5346 0.5963 -0.7501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1290 -0.5544 0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -0.9169 -0.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6471 -1.0201 -1.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2729 -2.2286 0.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3186 -0.9130 -0.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6386 0.6736 0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9827 -0.8849 1.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8932 0.5161 2.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7790 -1.2770 1.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2836 -0.1359 1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 0.1862 -1.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8746 0.0586 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6246 2.3998 0.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 3.3915 -0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7638 3.2496 1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8735 2.7485 -0.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4672 0.2868 -1.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5505 0.9584 -0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 -0.1427 1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8065 -1.4097 0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5739 -1.5236 -2.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4826 -0.0585 -2.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 -1.7118 -2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1729 -2.1046 1.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2938 -2.4804 -0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 -3.0323 0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 13 7 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 5 21 1 0 6 22 1 0 7 23 1 0 9 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 15 37 1 0 M END