HMDB0258837 RDKit 3D Tert-Amyl methyl ether 21 20 0 0 0 0 0 0 0 0999 V2000 2.0055 0.0458 0.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9274 -0.6108 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2773 0.2426 -0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1579 1.5196 -0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9382 0.6282 1.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1912 -0.3810 -1.0194 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6576 -1.5872 -0.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0088 1.1536 0.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9409 -0.2854 1.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9831 -0.3234 0.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -1.5825 0.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3194 -0.8712 -1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 1.4973 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3992 1.6785 -1.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0348 2.4066 -0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4614 1.5134 1.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9916 0.9304 0.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9989 -0.1778 1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3971 -1.9783 -1.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8747 -2.3909 -0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1276 -1.4278 0.4257 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 3 6 1 0 6 7 1 0 1 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 2 12 1 0 4 13 1 0 4 14 1 0 4 15 1 0 5 16 1 0 5 17 1 0 5 18 1 0 7 19 1 0 7 20 1 0 7 21 1 0 M END