HMDB0032895 RDKit 3D 3b-Hydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8b-olide 53 55 0 0 0 0 0 0 0 0999 V2000 -2.8679 -0.1628 -2.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8927 -0.9240 -1.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7260 -1.2961 -0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7736 -2.0827 0.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5132 -0.9604 0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3862 -1.3303 1.4454 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4419 -0.2605 -0.2469 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2696 0.0563 0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2836 1.5581 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8362 2.3288 1.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6156 1.8552 2.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5539 3.7159 1.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9411 4.7411 1.7995 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1945 3.7037 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3473 2.4176 -0.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7535 1.9296 -0.6311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6069 0.5158 -1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8839 0.0475 -1.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5552 -1.0829 -1.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 -0.8518 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1654 -1.8479 1.0554 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9796 -0.9411 0.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8851 -0.2698 2.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9947 -0.4457 -0.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -1.6788 -0.9946 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 -0.6245 -2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7405 0.8176 -1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1727 0.1574 -3.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8032 -1.1824 -2.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7250 -2.0942 -0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9295 -1.5444 1.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3614 -3.0805 0.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2642 -0.3085 1.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7424 2.7126 3.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6492 1.5519 2.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0474 1.0172 3.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1709 2.1907 -1.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4119 2.0499 0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 2.5202 -1.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8772 0.5894 -2.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5987 0.9042 -1.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7828 -0.2544 -2.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -1.0303 -1.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2234 -2.0885 -1.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7974 0.1521 0.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7278 -2.7226 0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8149 -2.0450 1.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1604 -0.7805 2.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6988 0.8201 2.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8647 -0.3873 2.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4964 -1.8468 -1.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0291 -2.6160 -0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9095 -1.6123 -2.0481 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 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 8 1 0 15 9 1 0 24 17 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 4 30 1 0 4 31 1 0 4 32 1 0 8 33 1 0 11 34 1 0 11 35 1 0 11 36 1 0 15 37 1 0 16 38 1 0 16 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 21 46 1 0 22 47 1 0 23 48 1 0 23 49 1 0 23 50 1 0 25 51 1 0 25 52 1 0 25 53 1 0 M END