Mol:LBGPEkcp:18000SC01:YS2CA0001:YS2ANe005
34 33 0 0 0 0 0 0 0 0999 V2000 1.2327 1.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2423 2.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2423 3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0577 1.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0673 3.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1889 3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8827 1.5101 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.8827 2.3351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8827 0.6851 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7077 1.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8923 3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3048 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8923 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0673 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6548 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8298 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4173 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4077 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8202 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6452 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0577 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8827 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2952 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1202 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5327 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3577 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7702 -3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8202 1.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0048 1.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4173 0.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4173 2.3901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5327 1.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9452 2.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7702 2.2246 0.0000 N 0 3 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
M CHG 2 9 -1 34 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 3 32 33 34 M SBL 3 1 31 M SMT 3 CH2CH2NH3 M SBV 3 31 -0.8250 0.0000 S SKP 5 ID LBGPEkcp:18000SC01:YS2CA0001:YS2ANe005:01 FORMULA C25H52NO7P EXACTMASS 509.34813953299994 AVERAGEMASS 509.656681 SMILES CCCCCCCCCCCCCCCCC(C)OCC(OC(C)=O)COP([O-1])(=O)OCC[NH3+1] M END
