HMDB0037195 RDKit 3D 2-Propenyl cyclohexanehexanoate 43 43 0 0 0 0 0 0 0 0999 V2000 5.4813 2.2032 0.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3195 0.9706 0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3019 0.6780 -0.9701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3242 -0.2360 -0.5166 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6589 -1.5080 -0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8990 -1.7908 -0.1464 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7138 -2.5143 0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -2.0019 0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0878 -0.8353 1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3423 -0.3646 1.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 0.0742 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2616 0.5380 0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2382 -0.4932 0.5445 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5772 0.2315 0.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0813 0.6717 -0.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0851 1.4679 -1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6864 0.9708 -1.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8809 2.9989 0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2143 2.4222 1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9412 0.1839 0.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7822 1.6119 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8329 0.3014 -1.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0568 -2.8969 1.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7299 -3.3849 -0.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5936 -2.8177 0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0539 -1.6858 -0.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7866 0.0027 1.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3541 -1.1979 2.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9716 -1.1284 1.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3633 0.5415 2.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6867 -0.6734 -0.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 0.9588 -0.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3152 1.4120 0.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4178 -1.1833 -0.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9569 -1.0564 1.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3794 1.1359 1.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2862 -0.4661 1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4701 -0.2204 -1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9702 1.3164 -0.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3996 1.3746 -2.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1918 2.5564 -1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0052 1.7656 -1.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5707 0.0673 -1.9731 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 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 12 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 M END