HMDB0035907 RDKit 3D Linalyl oxide 30 30 0 0 0 0 0 0 0 0999 V2000 3.1421 0.6914 1.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 0.8910 0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5619 -0.2305 -0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4214 -1.4705 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9194 0.0497 -1.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2969 0.8595 -1.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4764 0.5207 0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8711 -0.0153 0.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -1.3246 -0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9044 0.9996 0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9929 -0.3025 1.9002 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4893 -0.3800 0.6818 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1344 -0.2555 1.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7739 1.4854 1.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4513 1.8541 -0.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -2.2015 -0.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4454 -1.9183 0.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4753 -1.1856 -0.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5972 -0.9020 -1.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5858 0.6035 -2.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1705 0.5660 -1.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1273 1.9442 -1.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3971 1.4361 0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9516 -1.2578 -1.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4222 -2.0697 0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1325 -1.6427 0.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5226 1.3114 1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5215 1.9218 -0.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6667 0.5908 -0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9406 -0.5689 2.0246 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 7 12 1 0 12 3 1 0 1 13 1 0 1 14 1 0 2 15 1 0 4 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 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 10 28 1 0 10 29 1 0 11 30 1 0 M END