HMDB0034261 RDKit 3D (±)-2-Octanol 27 26 0 0 0 0 0 0 0 0999 V2000 -3.6448 0.4551 -0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2561 -0.3504 0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8446 -0.8525 0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 0.2977 0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4936 -0.3276 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5723 0.7055 -0.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9256 0.1132 -0.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3833 -0.7312 0.7346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8376 1.1910 -0.5063 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4704 -0.0997 -1.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0727 1.4033 -0.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7418 0.6571 -0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9099 -1.2060 0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2224 0.3602 1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7378 -1.4952 -0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -1.4247 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8823 0.9955 1.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1297 0.8044 -0.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4121 -1.0331 -0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7757 -0.9266 0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3239 1.2937 -1.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5268 1.4148 0.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0057 -0.4329 -1.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1524 -0.2168 1.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0058 -1.7602 0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4936 -0.7918 0.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 1.9573 -0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 3 15 1 0 3 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 8 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 M END