Mol:LBGPxkcp:18000SC01:YS2CA0001:p
38 36 0 0 0 0 0 0 0 0999 V2000 0.4077 1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4173 2.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4173 2.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2327 1.2909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2423 2.9959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3639 2.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0577 1.2909 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0577 2.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0577 0.4659 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8827 1.2909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0673 2.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4798 2.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0673 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2423 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8298 0.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0048 0.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4077 0.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2327 0.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6452 -0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4702 -0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8827 -1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7077 -1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1202 -2.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9452 -2.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3577 -2.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1827 -2.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5952 -3.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6452 1.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8202 1.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4077 0.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4077 2.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7077 1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1202 2.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9452 2.0054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3577 2.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1827 2.7199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5952 3.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8723 1.5934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 3 5 1 0 4 7 1 0 7 8 2 0 7 9 1 0 7 10 1 0 5 11 1 0 6 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 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 24 25 1 0 25 26 1 0 26 27 1 0 2 31 1 0 28 29 1 0 29 30 2 0 29 31 1 0 10 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0
M CHG 1 9 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 M SAL 1 2 26 27 M SBL 1 2 9 10 M SMT 1 (CH2)17 M SBV 1 9 -0.8250 0.0000 M SBV 1 10 1.2966 0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 28 29 30 31 M SBL 2 1 27 M SMT 2 CH3CO^O M SBV 2 27 0.8250 0.0000 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 32 33 34 35 36 37 M SBL 3 1 31 M SMT 3 CH2CH2NCOCH3 M SBV 3 31 -0.8250 0.0000 S SKP 5 ID LBGPxkcp:18000SC01:YS2CA0001:ppppppppp:01 FORMULA C27H54NO8P EXACTMASS 551.358704219 AVERAGEMASS 551.693361 SMILES [H] M END
