HMDB0031963 RDKit 3D (3b,6b,8a,12a)-8,12-Epoxy-7(11)-eremophilene-6,8,12-trimethoxy-3-ol 53 55 0 0 0 0 0 0 0 0999 V2000 5.2758 -0.0933 1.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8942 -0.1790 1.4574 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 0.1824 0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 1.2625 0.6312 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2736 1.0899 -0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6143 1.7272 -1.3951 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 3.0611 -1.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0254 1.6613 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 0.6487 1.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0395 1.4116 1.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3328 0.6946 1.6702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6346 -0.3357 0.6663 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8894 -1.5950 1.2545 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -0.4620 -0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9095 0.5538 -1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2539 -0.5114 0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3309 -1.7193 1.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -0.9147 -0.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3622 -0.4589 -2.1072 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3537 -1.4833 -3.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1664 -0.3825 -0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3377 -0.9218 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6269 -2.3882 -0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5829 -0.7736 0.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7074 -0.3498 2.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5253 0.9642 1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9485 0.4662 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9797 3.5513 -0.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2171 3.6355 -1.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6654 3.0551 -0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2808 2.4070 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5538 2.2556 -0.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2578 0.2728 1.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7721 1.7699 2.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2073 2.3754 0.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4025 0.2173 2.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1486 1.4533 1.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6023 -0.1040 0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1352 -1.3958 2.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8048 -1.4708 -0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7119 1.5942 -1.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0333 0.5129 -1.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5024 0.3777 -2.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2752 -2.0315 1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7244 -1.3949 2.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8452 -2.5625 0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0471 -2.0163 -0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5157 -1.0959 -4.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6239 -2.0298 -3.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1215 -2.2581 -2.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -2.9538 -0.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9838 -2.7802 0.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 -2.5395 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 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 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 2 0 22 23 1 0 22 3 1 0 21 5 1 0 16 9 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 7 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 13 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 15 43 1 0 17 44 1 0 17 45 1 0 17 46 1 0 18 47 1 0 20 48 1 0 20 49 1 0 20 50 1 0 23 51 1 0 23 52 1 0 23 53 1 0 M END