HMDB0038197 RDKit 3D alpha-Bisabolol oxide B 43 44 0 0 0 0 0 0 0 0999 V2000 4.9337 1.8178 0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6342 1.0895 0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5336 1.6977 0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1906 1.0833 0.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2464 -0.2163 -0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0367 -1.0033 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1449 -2.2875 -0.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4698 -1.2858 1.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8542 -0.6238 1.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -0.6208 -0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2954 0.3686 -0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6183 -0.0536 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9383 1.7736 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4318 0.3497 -1.7738 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -0.2674 -0.6388 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4502 -1.0026 0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6655 -0.3128 -0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7482 2.9249 0.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5355 1.4678 1.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4998 1.5828 -0.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6242 2.7297 0.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 0.9973 1.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5229 1.7679 0.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3927 0.0322 -1.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8073 -2.5941 -1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4501 -3.0940 -0.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8946 -2.1354 -1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1907 -0.8941 2.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6626 -2.3881 1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5566 -1.2614 2.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7091 0.3650 1.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5385 -1.6264 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4023 0.6170 -0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7749 -1.1175 -0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5727 0.0946 1.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9026 2.4698 -0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9503 1.8666 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7256 2.2049 0.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0504 -0.3815 -2.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5983 -0.9670 1.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4039 -2.0502 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5951 -0.8389 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4487 -0.2780 -1.3907 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 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 10 15 1 0 5 16 1 0 16 17 1 0 17 2 1 0 15 6 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 7 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 10 32 1 0 12 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 16 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 M END