HMDB0035689 RDKit 3D Melleolide 57 60 0 0 0 0 0 0 0 0999 V2000 2.7680 -0.3768 -1.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0802 -0.0479 -1.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2296 -0.3951 -1.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4652 -0.1149 -1.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -0.4762 -1.9824 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5684 0.5313 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4354 0.9115 0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6743 1.5483 1.8209 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2112 0.6172 0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9967 0.9799 0.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0113 1.5719 1.9314 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 0.6832 0.3329 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6107 1.0677 1.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2965 1.9490 0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 1.1903 0.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0026 1.9571 2.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4934 0.8514 -0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7294 0.3366 0.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2644 -0.7519 -0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7058 -0.4345 -0.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2009 -2.0927 0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3858 -0.8294 -1.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0713 -0.1864 -1.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2059 -1.2395 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5044 -1.0978 0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3351 -2.2100 0.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0454 -2.1512 1.8988 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5307 0.1138 1.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6694 -0.2460 2.5784 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9341 -0.8863 -2.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1674 -1.0857 -1.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 0.5406 -1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1584 -0.9180 -2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0008 -1.3865 -1.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5443 0.7623 0.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0658 1.8999 2.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8212 1.5954 2.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2455 3.0078 0.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1666 1.7588 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6676 1.5326 2.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 3.0240 2.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1106 2.0044 1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7419 1.7745 -0.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5488 -0.0824 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5104 1.1370 0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8580 0.6393 -0.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9308 -0.6838 -1.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3447 -1.0219 -0.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9954 -2.1846 1.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2092 -2.1495 0.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2704 -2.8964 -0.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8099 -0.2890 -2.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1679 -1.8854 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6123 0.2338 -2.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -2.1756 -1.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3923 -3.1432 0.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4935 -0.7810 2.6613 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 4 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 25 28 1 0 28 29 1 0 9 2 1 0 28 13 1 0 28 15 1 0 23 17 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 5 34 1 0 6 35 1 0 8 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 16 40 1 0 16 41 1 0 16 42 1 0 17 43 1 0 18 44 1 0 18 45 1 0 20 46 1 0 20 47 1 0 20 48 1 0 21 49 1 0 21 50 1 0 21 51 1 0 22 52 1 0 22 53 1 0 23 54 1 0 24 55 1 0 26 56 1 0 29 57 1 0 M END