Mol:LBGTGccc:12000SC01:12000SC01:18109SC02 2
54 53 0 0 0 0 0 0 0 0999 V2000 -7.2781 2.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4531 2.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2781 1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2781 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2781 -0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2781 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4894 0.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5934 0.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8793 0.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1652 0.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4509 0.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7368 0.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 0.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3084 0.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5943 0.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5934 -0.5252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7388 1.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0247 2.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3106 1.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5963 2.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8822 1.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1679 2.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4538 1.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7397 2.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7388 0.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0254 1.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6887 2.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 0.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8341 0.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4047 1.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1189 2.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4531 -0.9741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5483 0.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2625 0.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5771 -1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5771 -2.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8630 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1487 -1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4346 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7205 -1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0062 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2921 -1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5778 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1363 -1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8504 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5647 -1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9931 -1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7072 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4213 -1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1356 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8497 -1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5639 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2781 -1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 8 16 2 0 2 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 17 25 2 0 24 26 1 0 26 27 1 0 15 28 1 0 28 29 1 0 27 30 1 0 30 31 1 0 4 7 1 0 6 32 1 0 29 33 1 0 33 34 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 7 8 1 0 32 35 1 0
S SKP 5 ID LBGTGccc:12000SC01:12000SC01:18109SC02:02 FORMULA C48H90O6 EXACTMASS 762.6737406120001 AVERAGEMASS 763.2246 SMILES C(CCC(OC(CCOC(=O)CCCCCCCCCCC)CCOC(CCCCCCCCC=CCCCCCCCC)=O)=O)CCCCCCCC M END
