Mol:LBGDGc-c:18109SC01::16000SC01 2
44 43 0 0 0 0 0 0 0 0999 V2000 -6.8955 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0705 2.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8955 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8955 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8955 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8955 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0705 0.6189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0705 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3563 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6421 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2138 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4996 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7854 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0713 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3571 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3563 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1821 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8963 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6105 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3246 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0389 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4671 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1814 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8955 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3563 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6421 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2138 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4996 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7854 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0713 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3571 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0713 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7855 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4996 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2138 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6421 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3564 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3563 -2.2689 0.0000 O 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 4 7 1 0 6 8 1 0 2 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 15 16 1 0 16 17 1 0 9 18 2 0 17 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 8 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 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 28 44 2 0
S SKP 5 ID LBGDGc-c:18109SC01::16000SC01:02 FORMULA C39H74O5 EXACTMASS 622.553625478 AVERAGEMASS 623.00186 SMILES C(CCCCCCCCCCCCC)CC(OCCC(O)CCOC(CCCCCCCC=CCCCCCCCC)=O)=O M END
