HMDB0035771 RDKit 3D Nomilinic acid 74 78 0 0 0 0 0 0 0 0999 V2000 -5.5494 2.1711 0.9118 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0715 2.1367 0.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3804 3.0396 1.2289 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4519 1.1560 -0.0114 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0618 1.0348 -0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7904 1.3065 -1.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 2.7198 -1.9873 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8871 3.7008 -1.3219 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1873 2.8933 -3.0082 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4522 -0.1957 0.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7284 -0.1011 1.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8155 -1.5254 -0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1704 -1.9706 -0.4208 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1389 -1.9582 0.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1112 -3.4814 -0.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7721 -1.4501 -1.5631 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8729 -2.0905 -1.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5268 -2.1004 -0.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3481 -2.8701 -1.1493 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9599 -1.1057 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1812 -1.8689 1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0674 0.0448 0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5052 1.3015 0.8624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8659 1.2062 1.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8914 0.5029 0.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8319 -0.1715 1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 1.5329 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1601 1.2577 -0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7657 0.4530 -1.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1149 0.4745 -0.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2847 1.2468 0.2354 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1661 1.7309 0.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1793 1.8444 -1.3677 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9432 0.7786 -2.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2233 0.9327 -3.4338 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -0.4370 -1.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1129 -1.3713 -0.9511 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3045 -0.5601 -0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8432 1.9737 1.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9206 3.1549 0.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0312 1.3621 0.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6135 1.8886 0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 0.6284 -2.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7266 1.3756 -2.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0082 2.2817 -2.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3523 0.7342 2.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 -0.0625 2.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2606 -1.0244 2.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5077 -2.2184 0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7774 -2.7231 1.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4138 -1.0078 1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1151 -2.4120 0.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9838 -3.6580 -1.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1252 -3.8753 -0.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4214 -4.0044 -0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7361 -1.3992 -1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9338 -1.5849 -2.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -3.1598 -1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2455 -2.2825 1.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6007 -2.8448 1.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 -1.4420 2.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1807 0.2517 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1721 1.6810 1.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5534 2.1777 0.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8119 0.8223 2.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 2.2620 1.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6098 0.5187 2.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3466 -1.0418 1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -0.4494 2.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6205 2.4968 0.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3073 -0.1076 -1.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8967 -0.0468 -1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9941 2.3927 1.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5505 -0.8651 -2.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 5 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 12 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 27 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 22 10 1 0 38 25 1 0 38 20 1 0 32 28 2 0 38 36 1 0 1 39 1 0 1 40 1 0 1 41 1 0 5 42 1 0 6 43 1 0 6 44 1 0 9 45 1 0 11 46 1 0 11 47 1 0 11 48 1 0 12 49 1 0 14 50 1 0 14 51 1 0 14 52 1 0 15 53 1 0 15 54 1 0 15 55 1 0 16 56 1 0 17 57 1 0 17 58 1 0 21 59 1 0 21 60 1 0 21 61 1 0 22 62 1 0 23 63 1 0 23 64 1 0 24 65 1 0 24 66 1 0 26 67 1 0 26 68 1 0 26 69 1 0 27 70 1 0 29 71 1 0 30 72 1 0 32 73 1 0 36 74 1 0 M END