HMDB0037009 RDKit 3D Terpinolene oxide 27 28 0 0 0 0 0 0 0 0999 V2000 3.7489 -0.0001 -0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3076 -0.0673 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6657 0.9951 0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2158 0.8231 0.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5439 0.1756 -0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -1.0055 -0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4871 -1.3002 -0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2082 0.9434 -1.2486 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0037 0.2968 -0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 1.2843 0.7047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9294 -0.7899 -0.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3019 0.4466 0.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8783 0.6477 -1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1368 -1.0251 -0.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 1.9308 0.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1593 0.1286 1.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2094 1.7752 1.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4097 -0.8417 -1.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4151 -1.9516 -0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0741 -1.9477 -0.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3033 -1.8491 0.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6641 1.4508 0.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1267 2.2740 0.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6964 0.8701 1.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4810 -0.5401 -1.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4443 -1.7615 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6825 -0.9623 0.0776 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 1 0 5 6 1 0 6 7 1 0 5 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 7 2 1 0 9 5 1 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 6 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 M END