HMDB0041288 RDKit 3D 2-Butyl-1-octanol 39 38 0 0 0 0 0 0 0 0999 V2000 -4.9100 1.6357 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6862 0.7714 -0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5165 1.3609 0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2258 0.5983 0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3596 -0.8153 0.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1991 -1.7000 0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0553 -1.5015 1.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9577 -2.6971 0.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2523 -3.8252 1.1735 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 -0.2454 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2622 0.1981 -0.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0312 1.5174 -0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4612 1.9353 -1.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2243 1.3667 0.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7275 1.4212 -0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5817 2.6834 -0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8655 -0.2608 0.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5124 0.7030 -1.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7849 1.3438 1.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3466 2.4141 0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3649 1.1468 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1082 0.5816 -0.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8595 -0.8815 1.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1647 -1.2629 -0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5164 -2.7857 0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0493 -1.7984 -0.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8861 -1.7464 2.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9982 -2.7181 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9143 -2.6661 1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4623 -4.6329 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4412 0.5936 1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8426 -0.4398 1.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3948 0.2857 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 -0.5123 -0.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3769 2.2984 0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9345 1.3431 0.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7204 1.6982 -2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6068 3.0547 -1.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4822 1.5381 -1.7350 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 8 9 1 0 7 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 13 39 1 0 M END