HMDB0040754 RDKit 3D (3beta,8beta)-3-Hydroxy-7(11)-eremophilen-12,8-olide 40 42 0 0 0 0 0 0 0 0999 V2000 4.0326 1.2772 0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2180 0.0650 0.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9296 -0.0086 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8863 1.0129 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3937 0.4357 -0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8701 1.4612 -1.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 -0.8675 -1.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -1.6094 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4256 -1.6068 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7326 -0.1775 0.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3166 0.4007 -0.7221 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 0.4880 0.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8136 1.9089 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7223 -1.8424 -0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4714 -1.3946 0.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6621 -2.1427 0.8493 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7355 -1.2940 0.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9606 -1.5754 0.7689 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1018 1.0200 0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8218 1.7343 -0.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8472 2.0705 0.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 1.5087 1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3065 1.8319 -0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2756 2.3604 -0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5332 0.9843 -2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0547 1.7549 -1.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0447 -0.6607 -2.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2116 -1.2003 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3825 -2.6722 -1.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3766 -2.1164 -0.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 -2.1545 0.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 -0.1074 1.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1869 0.8138 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0413 -0.0026 1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1815 1.8706 2.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7132 2.2386 0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9927 2.6175 1.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2435 -2.8314 -0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4859 -2.1534 -1.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 -1.4372 1.6707 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 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 7 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 2 1 0 15 3 1 0 12 5 1 0 1 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 4 23 1 0 6 24 1 0 6 25 1 0 6 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 11 33 1 0 12 34 1 0 13 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 M END