HMDB0035684 RDKit 3D Deacetylnomilin 66 71 0 0 0 0 0 0 0 0999 V2000 -4.4102 0.8397 -1.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7341 0.7362 -0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8367 2.0947 0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6405 -0.1129 0.5235 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4736 -1.4376 0.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4525 -2.1953 1.0443 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1445 -2.0551 1.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2356 -1.0433 1.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9414 -0.2893 2.6342 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5148 -0.1645 0.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0309 1.0904 1.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4164 0.1649 -0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6821 1.0091 -1.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4192 0.3916 -1.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1637 0.8534 -2.8484 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1381 -0.7691 -1.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3122 -1.9690 -2.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -0.9517 0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -1.0462 1.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0854 -0.4003 0.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 0.0871 -0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 1.5557 -0.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8608 0.0509 -0.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5540 0.9149 0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9331 2.2385 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5494 2.6829 1.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5558 1.7250 2.1398 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9742 0.6597 1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 -1.2189 -0.5706 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6093 -2.3219 -0.8614 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0642 -3.5084 -0.6598 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2557 -2.1145 -1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1727 -1.2694 -2.4956 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6505 -0.8210 -1.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1988 1.8481 -2.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5221 0.8342 -1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0990 -0.0032 -2.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5198 2.1263 1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9019 2.4588 0.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2737 2.8818 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8273 -2.4838 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 -2.9578 1.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4817 -1.6297 2.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4697 -0.2256 3.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2255 2.0221 0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0596 1.1252 1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4691 1.1718 2.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6128 -0.8123 -0.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3747 1.0530 -2.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5855 2.0700 -1.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4631 -2.2257 -2.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2065 -1.7414 -2.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4101 -2.8735 -1.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7481 -2.0182 0.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9964 -2.1367 1.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4235 -0.6915 2.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3364 0.4326 1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9144 -1.1545 1.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6026 2.0266 -1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9977 1.8339 -0.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4989 2.0334 0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0876 0.4553 -1.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7802 2.8185 -0.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9662 3.6956 1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8389 -0.2945 2.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6428 -3.0449 -1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 23 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 12 2 1 0 34 16 1 0 18 10 1 0 34 21 1 0 28 24 2 0 34 32 1 0 1 35 1 0 1 36 1 0 1 37 1 0 3 38 1 0 3 39 1 0 3 40 1 0 7 41 1 0 7 42 1 0 8 43 1 0 9 44 1 0 11 45 1 0 11 46 1 0 11 47 1 0 12 48 1 0 13 49 1 0 13 50 1 0 17 51 1 0 17 52 1 0 17 53 1 0 18 54 1 0 19 55 1 0 19 56 1 0 20 57 1 0 20 58 1 0 22 59 1 0 22 60 1 0 22 61 1 0 23 62 1 0 25 63 1 0 26 64 1 0 28 65 1 0 32 66 1 0 M END