HMDB0032209 RDKit 3D Citronellyl trans-2-methyl-2-butenoate 43 42 0 0 0 0 0 0 0 0999 V2000 5.7933 -1.4423 1.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4274 -1.4097 0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9838 -0.4706 -0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8682 0.6334 -0.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5939 -0.5243 -0.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8284 -1.4686 -0.4023 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0974 0.4516 -1.5706 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8324 0.5519 -2.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 1.1782 -1.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5024 0.7403 0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6152 0.9588 1.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7504 1.4069 0.6384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9496 1.0709 -0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1774 -0.4073 -0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3202 -0.8924 0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3709 0.0004 0.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5719 -2.3563 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8770 -0.5846 1.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9689 -2.3597 1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5698 -1.2516 0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7418 -2.2041 0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7733 1.4362 0.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 0.3484 -0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4592 1.0897 -1.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4676 -0.5136 -2.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8385 1.1348 -3.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1718 1.2571 -1.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0101 2.3223 -1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6662 -0.3993 0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1824 1.6204 1.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9695 0.0496 1.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4388 1.5811 0.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9205 1.0779 1.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6015 2.5120 0.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8179 1.5690 0.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 1.4481 -1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4288 -1.0786 -0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9983 0.5819 1.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6724 0.7800 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2386 -0.5657 1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5400 -2.5575 -0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5856 -2.7933 1.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8008 -2.9052 -0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 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 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 3 15 16 1 0 15 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 4 22 1 0 4 23 1 0 4 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 13 35 1 0 13 36 1 0 14 37 1 0 16 38 1 0 16 39 1 0 16 40 1 0 17 41 1 0 17 42 1 0 17 43 1 0 M END