HMDB0035989 RDKit 3D Thymol methyl ether 28 28 0 0 0 0 0 0 0 0999 V2000 0.4264 3.1707 -0.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2999 2.0671 -0.5214 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2575 0.8532 -0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6507 0.6271 -0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 -0.6053 0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 -0.8392 -0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 -1.6597 0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -1.4676 0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5141 -0.2308 0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9817 -0.0320 0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6073 -1.2145 -0.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5503 -0.3065 1.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1383 4.1214 -0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5109 3.0987 -0.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1471 3.4246 -2.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3261 1.4275 -0.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2885 -0.2502 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8912 -1.9295 -0.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8845 -0.6071 -1.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8097 -2.6173 0.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6462 -2.3156 0.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3001 0.8838 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4752 -1.6370 -0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8481 -1.9483 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9337 -0.7523 -1.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6632 -0.4265 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4355 0.4969 2.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2725 -1.3316 1.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 9 3 1 0 1 13 1 0 1 14 1 0 1 15 1 0 4 16 1 0 6 17 1 0 6 18 1 0 6 19 1 0 7 20 1 0 8 21 1 0 10 22 1 0 11 23 1 0 11 24 1 0 11 25 1 0 12 26 1 0 12 27 1 0 12 28 1 0 M END