HMDB0031311 RDKit 3D Benzyl butyl ether 28 28 0 0 0 0 0 0 0 0999 V2000 -4.9862 0.5159 0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7811 -0.2400 -0.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5072 0.4118 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3371 -0.3771 -0.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1182 0.1104 0.0235 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8896 -0.6509 -0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2425 -0.2077 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5161 0.8638 0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8298 1.1874 0.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8904 0.4600 0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6258 -0.6123 -0.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3119 -0.9286 -0.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3989 0.0243 1.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7895 0.5006 -0.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7127 1.5810 0.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8729 -1.2758 0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 -0.2484 -1.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5657 0.3240 1.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4704 1.4818 -0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3665 -0.4214 -1.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4575 -1.4195 0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8017 -0.5783 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7951 -1.7297 -0.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6837 1.4317 1.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0541 2.0457 1.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9297 0.7151 0.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4662 -1.1666 -0.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1593 -1.7970 -1.2806 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 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 6 22 1 0 6 23 1 0 8 24 1 0 9 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 M END