Mol:LBGTGccc:10000SC01:10000SC01:14000SC01 2
45 44 0 0 0 0 0 0 0 0999 V2000 -5.4127 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5877 2.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4127 1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4127 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4127 -0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4127 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5877 0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5877 -0.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8734 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1593 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4452 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7309 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0168 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3025 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4116 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1257 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8734 -0.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8734 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1593 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4452 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7309 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0168 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3025 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4116 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1257 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8734 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1593 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4452 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7309 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0168 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3025 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4116 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1257 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5541 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8734 0.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8734 -2.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5541 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5541 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2700 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9843 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6984 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4127 -0.9768 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 7 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 2 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 8 26 1 0 26 27 1 0 27 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 18 36 2 0 26 37 2 0 25 38 1 0 38 39 1 0 16 40 1 0 40 41 1 0 35 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0
S SKP 5 ID LBGTGccc:10000SC01:10000SC01:14000SC01:02 FORMULA C39H74O6 EXACTMASS 638.5485401000001 AVERAGEMASS 639.00126 SMILES O(CCC(CCOC(CCCCCCCCC)=O)OC(=O)CCCCCCCCC)C(=O)CCCCCCCCCCCCC M END
