HMDB0035157 RDKit 3D Geranyl acetate 34 33 0 0 0 0 0 0 0 0999 V2000 5.3075 0.2136 1.9385 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6296 -0.3042 0.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3035 -0.7659 -0.2333 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2531 -0.2948 0.5954 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6655 -0.8010 -0.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1956 -0.7214 -0.5669 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4876 -0.0319 -1.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2299 0.6903 -2.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0031 0.0152 -1.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5369 -0.7819 -0.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0366 -0.6745 -0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7202 -0.1707 0.7473 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0149 0.3192 1.9485 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1892 -0.0929 0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4727 -0.5926 2.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6373 0.9668 2.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2703 0.6804 1.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1140 -0.3471 -1.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9282 -1.8951 -0.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6664 -1.2454 0.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8665 -0.0148 -3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5025 1.1923 -3.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8088 1.4948 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -0.3805 -2.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3735 1.0638 -1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2274 -1.8419 -0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1149 -0.3813 0.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 -1.0278 -1.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3812 1.2164 1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6949 0.6717 2.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2992 -0.4413 2.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5144 0.7158 -0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6565 0.1484 1.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5990 -1.0435 0.2535 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 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 3 12 13 1 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 8 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 11 28 1 0 13 29 1 0 13 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 M END