Mol:LBGTGccc:12000SC01:12000SC01:14000SC01 2
49 48 0 0 0 0 0 0 0 0999 V2000 -5.4018 2.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5768 2.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4018 1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4018 0.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4018 -0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4018 -0.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6131 0.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8261 0.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 0.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3979 0.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6836 0.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9695 0.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2553 0.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4589 0.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 0.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8261 -0.5797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1484 2.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4343 1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 2.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0059 1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2916 2.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4225 1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1366 2.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 0.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8509 1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5650 2.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8872 0.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6014 0.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2810 1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9952 2.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5768 -0.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3156 0.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0297 0.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8825 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1684 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4541 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0259 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3116 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4025 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1168 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8309 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8825 -2.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2593 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9734 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6876 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4018 -0.9631 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 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 35 44 2 0 7 8 1 0 32 35 1 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0
S SKP 5 ID LBGTGccc:12000SC01:12000SC01:14000SC01:02 FORMULA C43H82O6 EXACTMASS 694.6111403560001 AVERAGEMASS 695.10758 SMILES C(CCCCCC(OC(CCOC(=O)CCCCCCCCCCC)CCOC(CCCCCCCCCCCCC)=O)=O)CCCCC M END
