HMDB0040727 RDKit 3D (±)-trans-Linalyl oxide 30 30 0 0 0 0 0 0 0 0999 V2000 3.2371 1.5147 0.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2733 0.7818 1.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 -0.0901 0.2161 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0900 -1.4815 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4444 0.4529 -1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 0.0391 -1.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6553 0.4524 -0.3034 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0914 0.0578 -0.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6651 0.5778 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3356 -1.4083 -0.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7567 0.7802 -1.2667 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1419 -0.1688 0.6267 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4329 1.4826 -0.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8424 2.1532 1.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0905 0.8265 2.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2796 -2.2255 -0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 -1.4995 -0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 -1.7248 1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5244 1.5491 -1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1717 -0.0567 -1.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3444 0.5698 -2.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0154 -1.0691 -1.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5416 1.5358 -0.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7654 0.7549 0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1745 1.5473 1.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5241 -0.1794 1.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8239 -1.6264 -1.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0673 -1.7304 0.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4018 -2.0168 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3517 0.2016 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 3 2 1 1 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 1 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