Mol:LBG00kk-:16402BC01:16402BC01
(Redirected from Mol:LBG00kk-:16402BC01:16402BC01::01)
49 46 0 0 0 0 0 0 0 0999 V2000 -2.4791 1.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4791 0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2684 0.1816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4791 -0.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7646 0.1816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1296 0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7646 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7646 -0.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6051 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6051 -0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5525 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5525 -0.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6336 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3433 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0514 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4743 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1908 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8937 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3387 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0263 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2384 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8428 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7306 1.2086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7544 -0.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1805 -0.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7137 -0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7137 -1.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -1.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6034 -0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6034 -1.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5827 -0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2924 -0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0005 -0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4234 -0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1398 -0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8428 -0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2878 -0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0247 -0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2894 -0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8937 -0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6845 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9799 0.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2684 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9799 -0.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6388 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9289 -0.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2175 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9289 -1.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 1 2 5 1 1 7 8 1 0 9 10 1 0 11 12 1 0 13 14 1 0 14 15 1 0 7 15 1 0 7 16 2 0 16 17 1 0 17 18 1 0 9 18 1 0 9 19 2 0 19 20 1 0 20 21 1 0 11 21 1 0 11 22 2 0 6 22 1 0 5 6 1 0 4 24 1 0 26 27 1 0 28 29 1 0 30 31 1 0 32 33 1 0 33 34 1 0 26 34 1 0 26 35 2 0 35 36 1 0 36 37 1 0 28 37 1 0 28 38 2 0 38 39 1 0 39 40 1 0 30 40 1 0 30 41 2 0 25 41 1 0 24 25 1 0 2 1 1 0 2 4 1 0 1 23 1 0 42 43 2 0 43 44 1 0 43 45 1 0 46 47 2 0 47 48 1 0 47 49 1 0
S SKP 5 ID LBG00kk-:16402BC01:16402BC01::01 FORMULA C45H80O3 EXACTMASS 668.610746426 AVERAGEMASS 669.1149 SMILES C(=CCCC(=CCOCC([H])(OCC=C(CCC=C(C)CCC=C(CCC)C)C)CO)C)(CCC=C(C)CCC)C M END
