HMDB0032996 RDKit 3D 2-Undecyl-4(1H)-quinolinone 51 52 0 0 0 0 0 0 0 0999 V2000 6.4184 0.2616 -1.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3211 0.1411 -0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3322 -0.9560 -0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 -0.6717 -0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3515 0.5872 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1678 0.6128 1.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2773 -0.5051 1.8739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8939 -0.4753 1.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2233 0.8206 1.6621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 0.8779 1.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0707 -0.2281 1.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3867 -0.0381 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3763 0.7349 1.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6018 0.9112 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5023 1.5942 1.4437 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8219 0.2988 -0.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0232 0.4266 -0.9454 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2680 -0.1740 -2.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2726 -0.9284 -2.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0521 -1.0862 -2.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8329 -0.4749 -0.8846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6544 -0.6107 -0.2517 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1666 -0.6868 -2.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7568 1.0513 -2.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 0.5842 -2.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3013 -0.1347 0.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0154 1.1163 0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3199 -1.1898 1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7078 -1.8756 -0.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3149 -1.5287 -0.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0622 -0.5748 -1.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9217 1.4727 -0.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3445 0.6775 -0.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 0.5221 1.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7506 1.6016 1.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1641 -0.4815 2.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7749 -1.4893 1.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9648 -0.6222 0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3406 -1.3167 1.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7915 1.6387 1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1635 0.9867 2.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6642 1.8388 1.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1558 0.8015 -0.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6472 -1.2243 1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 -0.1727 2.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1298 1.1835 2.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8051 1.0367 -0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2308 -0.0505 -2.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4396 -1.4113 -3.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2486 -1.6758 -2.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9284 -1.1952 -0.7224 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 12 1 0 21 16 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 7 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 9 41 1 0 10 42 1 0 10 43 1 0 11 44 1 0 11 45 1 0 13 46 1 0 17 47 1 0 18 48 1 0 19 49 1 0 20 50 1 0 22 51 1 0 M END