Mol:LBGDGc-c:18109SC01::18109SC01 2
48 45 0 0 0 0 0 0 0 0999 V2000 -6.9664 2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1414 2.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9664 1.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9664 0.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9664 -0.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9664 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1778 0.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4272 1.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7130 2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4272 0.9577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1414 -0.9959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9989 1.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2847 2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5705 1.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1422 1.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2862 1.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4635 -1.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7494 -0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8899 -1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1756 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4615 -1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7473 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4635 -2.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0331 -1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3953 -1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1112 1.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 -1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1439 1.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8581 2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5723 1.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2865 2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0006 1.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7148 2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4290 1.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1431 2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8574 1.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2529 -1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9672 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6813 -1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3955 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1097 -1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8238 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5380 -1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2522 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9664 -1.4066 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 2 8 1 0 8 9 1 0 8 10 2 0 6 11 1 0 9 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 19 20 1 0 21 22 1 0 22 23 1 0 23 24 1 0 19 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 20 21 1 0 4 7 1 0 18 29 2 0 28 30 2 0 11 19 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 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0
S SKP 5 ID LBGDGc-c:18109SC01::18109SC01:02 FORMULA C43H84O5 EXACTMASS 680.631875798 AVERAGEMASS 681.12406 SMILES O(C(CCCCCCCC=C)=O)CCC(CCOC(CCCCCCCC=C)=O)O M END
