Mol:LBGPCkkp:18000SC01:YS1CA0002:YB2PHb001 2
35 34 0 0 0 0 0 0 0 0999 V2000 0.8202 1.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8298 2.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8298 3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6452 1.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6548 3.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7764 3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4702 1.5101 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.4702 2.3351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4702 0.6851 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2952 1.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4798 3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8923 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4798 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6548 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2423 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4173 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0048 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 -1.2327 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0577 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4702 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2952 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7077 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5327 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9452 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7702 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1827 -3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4077 3.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0048 2.3901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1202 1.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5327 0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3577 0.7956 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3577 1.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1827 0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3577 -0.0294 0.0000 C 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 29 1 0 28 29 1 0 10 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0
M CHG 2 9 -1 32 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 2 28 29 M SBL 2 1 27 M SMT 2 CH3^O M SBV 2 27 0.8250 0.0000 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 30 31 32 33 34 35 M SBL 3 1 29 M SMT 3 CH2CH2N(CH3)3 M SBV 3 29 -0.8250 0.0000 S SKP 5 ID LBGPCkkp:18000SC01:YS1CA0002:YB2PHb001:02 FORMULA C27H58NO6P EXACTMASS 523.400175103 AVERAGEMASS 523.726321 SMILES CCCCCCCCCCCCCCCCC(C)OCC(OC)COP([O-1])(=O)OCC[N+1](C)(C)C M END
