HMDB0061806 RDKit 3D 3,3,5-Trimethylheptane 32 31 0 0 0 0 0 0 0 0999 V2000 1.9073 0.8911 1.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1883 0.5614 0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4978 -0.6084 -0.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1192 -0.6603 -1.9328 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0719 -0.6189 -0.7411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0345 -0.4854 0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3181 -0.6325 -0.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1754 -1.6650 1.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3179 0.7459 0.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5526 1.9832 0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3372 0.1119 2.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 1.0414 2.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3295 1.8336 1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0247 1.4847 -0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3182 0.4520 0.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8937 -1.5660 -0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7399 0.2654 -2.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6483 -1.5124 -2.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2011 -0.6753 -1.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0773 0.0984 -1.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1158 -1.6237 -1.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -1.7089 -0.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1976 -0.3562 -0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1699 -0.0061 -1.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2279 -1.6117 1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5127 -1.5999 1.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9895 -2.6211 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4102 0.5516 1.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8117 0.9692 1.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8112 2.0936 -0.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4947 2.8770 0.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 1.9914 -0.3834 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 3 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 9 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 4 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 7 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 10 32 1 0 M END