HMDB0059881 RDKit 3D Ocimenol 29 28 0 0 0 0 0 0 0 0999 V2000 4.0194 0.9908 0.7479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7624 0.8597 0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 -0.3014 -0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 -1.3294 -0.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1508 -0.5117 -0.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.3348 -0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0827 -0.4331 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3592 0.2415 0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0241 0.6530 -0.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3385 -0.7517 1.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3637 1.3232 1.2486 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7404 0.2446 0.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3164 1.8499 1.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0331 1.6315 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0159 -2.1033 -1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 -0.8382 -1.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7816 -1.7074 0.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9309 -1.4331 -1.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2423 1.2419 -0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3464 0.6716 -1.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2995 -1.3649 -0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6195 -0.7672 1.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3926 -0.2653 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3299 1.2468 -1.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9496 1.2328 -0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0835 -1.7706 0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2150 -0.6879 2.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3744 -0.4535 0.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 2.1967 0.8632 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 3 5 2 3 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 4 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 9 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 M END