HMDB0029345 RDKit 3D Murrayenol 80 85 0 0 0 0 0 0 0 0999 V2000 7.6185 2.5870 0.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2256 1.2555 0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3377 0.2611 -0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3926 1.4241 -1.0758 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8747 0.8306 0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3721 -0.5557 -0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2259 -0.4165 -1.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 -0.3346 -0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8393 -0.6492 -0.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6745 0.3817 -1.9689 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3231 1.0719 -1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0234 0.7198 -0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7551 1.6418 0.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 0.7381 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1182 1.7705 -0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5803 1.7737 0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0597 0.4191 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5377 0.3151 -0.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3254 1.2138 0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8834 0.7929 -1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9943 -1.1183 -0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9932 -1.3594 -1.3689 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8857 -2.0847 -0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6478 -1.8922 -0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4352 -0.6819 0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2070 -0.9109 1.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0462 -0.3223 0.9084 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1965 -1.4987 1.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2879 -1.3087 1.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5145 -0.6983 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3674 -1.4422 -1.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5228 -1.3854 0.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3912 -2.6343 0.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8857 -1.1453 1.0224 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6049 2.9093 0.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6164 2.5620 1.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8967 3.4021 0.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2781 0.6941 -0.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0959 -0.6574 -0.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5871 -0.0395 1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0861 1.5028 0.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1284 -1.1937 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3416 0.5196 -1.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1251 -1.3146 -1.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1622 0.6755 0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0205 -1.6412 -1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4307 1.1677 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6953 -0.0727 -2.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 0.7109 -2.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4258 2.1750 -1.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1971 1.1797 1.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0166 2.3926 1.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4258 2.2813 0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6639 2.5717 -0.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5956 1.9350 1.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0808 2.5577 -0.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 0.2504 -1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0428 0.6042 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0069 1.9225 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6899 1.8814 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4588 0.1304 -2.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9867 0.9217 -1.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4539 1.8286 -1.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4983 -1.3756 0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5645 -2.1277 -1.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0732 -2.9649 -1.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8976 -2.5903 -0.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5182 -0.8275 2.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0050 -0.2027 2.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6047 -1.9428 1.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1661 0.2192 1.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5158 -2.4675 0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3061 -1.6885 2.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6465 -0.7385 1.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7308 -2.3294 1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5359 -2.4863 -0.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2824 -0.8877 -1.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1525 -1.5538 -2.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0697 -1.3183 1.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6458 -3.3327 0.9246 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 1 0 6 7 1 0 7 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 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 8 32 1 0 32 33 1 0 32 34 1 0 5 2 1 0 34 6 1 0 30 9 1 0 30 12 1 0 27 14 1 0 25 17 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 5 41 1 0 6 42 1 0 7 43 1 0 7 44 1 0 8 45 1 0 9 46 1 0 10 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 13 51 1 0 13 52 1 0 13 53 1 0 15 54 1 0 16 55 1 0 16 56 1 0 17 57 1 0 19 58 1 0 19 59 1 0 19 60 1 0 20 61 1 0 20 62 1 0 20 63 1 0 21 64 1 0 22 65 1 0 23 66 1 0 24 67 1 0 26 68 1 0 26 69 1 0 26 70 1 0 27 71 1 0 28 72 1 0 28 73 1 0 29 74 1 0 29 75 1 0 31 76 1 0 31 77 1 0 31 78 1 0 32 79 1 0 33 80 1 0 M END