HMDB0034557 RDKit 3D 8,8-Diethoxy-2,6-dimethyl-2-octanol 47 46 0 0 0 0 0 0 0 0999 V2000 3.0705 -3.4372 -0.8212 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2328 -1.9841 -1.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3569 -1.1953 -0.4234 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4569 0.1493 -0.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2426 0.7224 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0354 0.6673 -0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0173 1.3569 0.7643 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6056 -0.7115 -0.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9187 -0.8457 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9846 -0.0064 -0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3149 -0.1157 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2899 0.2857 1.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2868 0.7903 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7993 -1.4201 0.1923 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9310 0.8788 0.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1699 1.4057 0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7401 2.2080 1.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3516 -4.1152 -1.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7237 -3.6605 0.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0234 -3.6927 -0.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2599 -1.6336 -0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -1.8706 -2.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2666 0.2296 -1.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4871 1.7943 -1.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1407 0.2406 -2.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7891 1.2769 -1.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0028 1.1972 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0933 2.4388 0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7355 0.9245 1.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8023 -0.9736 -1.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1341 -1.4461 -0.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7972 -0.6713 1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2055 -1.9210 0.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6489 1.0460 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1459 -0.3411 -1.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9951 -0.5523 2.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7167 1.2033 1.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3525 0.5201 2.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1007 0.7604 -1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3156 0.4420 -0.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1276 1.8138 -0.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6629 -1.7913 -0.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8918 0.5914 -0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0767 2.1141 -0.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5942 3.3034 1.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1558 1.9704 2.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8261 2.0543 1.3907 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 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 4 15 1 0 15 16 1 0 16 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 12 36 1 0 12 37 1 0 12 38 1 0 13 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 17 46 1 0 17 47 1 0 M END