Mol:LBGDGc-c:18000SC01::16000SC01 2
44 43 0 0 0 0 0 0 0 0999 V2000 -6.8401 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0151 2.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8401 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8401 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8401 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8401 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0151 0.6189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0151 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8726 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4442 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3017 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8726 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4442 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3017 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4126 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5551 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 -2.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4126 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5551 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2692 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9835 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6976 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4118 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8401 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2692 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9835 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6976 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4118 -1.0313 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 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 9 17 2 0 8 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 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 18 30 2 0 16 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 29 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0
S SKP 5 ID LBGDGc-c:18000SC01::16000SC01:02 FORMULA C39H76O5 EXACTMASS 624.569275542 AVERAGEMASS 625.01774 SMILES C(CCCCCCCCCCCCC)CC(OCCC(O)CCOC(CCCCCCCCCCCCCCCCC)=O)=O M END
