HMDB0035120 RDKit 3D Dehydrolinalool 27 26 0 0 0 0 0 0 0 0999 V2000 -2.4032 1.8263 0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5297 0.8349 0.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -0.2544 -0.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5215 -1.3573 0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1307 0.1929 -1.6859 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2195 -0.8055 -0.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4391 -1.3462 0.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5608 -0.8677 0.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3804 0.2108 0.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5081 0.4218 1.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2337 1.1365 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1812 1.8281 -0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4006 2.6454 1.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7554 0.8385 1.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4905 -1.4513 1.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5415 -1.1691 -0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1414 -2.3133 -0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7489 -0.3368 -2.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -0.0935 -1.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4572 -1.7344 -1.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0157 -2.2154 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9592 -1.3865 1.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2010 1.2011 0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7211 -0.1918 1.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 0.7035 -1.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 1.7917 -0.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1010 1.8919 -0.6833 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 3 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 4 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 8 22 1 0 10 23 1 0 10 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 M END