HMDB0251286 RDKit 3D Dihexyl ether 39 38 0 0 0 0 0 0 0 0999 V2000 5.5411 1.3517 -0.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3095 0.9157 -1.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 -0.2596 -0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2786 0.1482 0.8963 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6345 -0.9773 1.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -1.4798 1.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4022 -0.4932 0.8988 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7511 -0.9614 0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7313 0.1904 0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 -0.2130 -0.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9267 1.0145 -0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2699 0.7165 -1.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9869 -0.3508 -0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1847 0.5105 -0.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1572 1.9888 -1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2163 1.9909 0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5975 1.7853 -1.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5229 0.6323 -2.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7439 -0.5418 -1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3379 -1.1123 -0.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 1.0425 0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2044 0.5086 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3728 -1.8310 1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4495 -0.7403 2.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6134 -1.8257 -0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9288 -2.3238 1.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2203 -1.8118 0.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5783 -1.3266 -0.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3322 1.0357 -0.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9497 0.5642 1.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8959 -0.5762 -1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5703 -0.9906 0.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9954 1.4314 0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4103 1.7765 -1.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0772 0.4114 -2.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8671 1.6468 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0751 -0.0745 -0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9338 -1.3119 -0.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5263 -0.4605 0.7350 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 9 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 8 27 1 0 8 28 1 0 9 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