HMDB0034378 RDKit 3D (±)-1-(4-Methylphenyl)ethanol 22 22 0 0 0 0 0 0 0 0999 V2000 3.5509 0.2150 0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0687 0.0511 0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2411 1.1197 0.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1286 0.9622 0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7313 -0.2438 0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1763 -0.4867 0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 0.7373 0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4908 -1.2622 -0.8168 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1116 -1.3132 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4826 -1.1658 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8287 0.4035 -0.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0324 -0.7653 0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 1.0158 0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6963 2.0943 0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7331 1.8035 0.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4686 -1.1265 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 0.4260 0.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7457 1.5279 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1255 1.1023 -0.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0413 -0.7832 -1.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2946 -2.2986 -0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1102 -2.0132 -0.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 1 0 5 9 1 0 9 10 2 0 10 2 1 0 1 11 1 0 1 12 1 0 1 13 1 0 3 14 1 0 4 15 1 0 6 16 1 0 7 17 1 0 7 18 1 0 7 19 1 0 8 20 1 0 9 21 1 0 10 22 1 0 M END