Mol:LBGPCkcp:18000SC01:YS2CA0001:YB2PHb001 2
38 37 0 0 0 0 0 0 0 0999 V2000 -5.1659 0.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1562 1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1562 2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3409 0.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3312 2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9812 1.6204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5062 2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5159 0.7404 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.5159 1.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5159 -0.0846 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.6909 0.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5062 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8659 0.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 0.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 0.0259 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6284 0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1966 0.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2187 0.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8062 1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2188 2.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6812 2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2687 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4437 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0312 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2062 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2063 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0313 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4438 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2688 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6813 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5063 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9188 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7438 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1563 -2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9813 -2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3938 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2188 -3.2704 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 2 6 1 0 5 7 1 0 4 8 1 0 8 9 2 0 8 10 1 0 8 11 1 0 7 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 6 20 1 0 19 20 1 0 20 21 2 0 7 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 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 35 36 1 0 36 37 1 0 37 38 1 0
M CHG 2 10 -1 15 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 13 14 15 16 17 18 M SBL 1 1 12 M SMT 1 CH2CH2N(CH3)3 M SBV 1 12 -0.8250 0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 19 20 21 M SBL 2 1 18 M SMT 2 CH3C^O M SBV 2 18 0.8250 0.0000 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 15 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 M SAL 3 2 37 38 M SBL 3 1 21 M SMT 3 (CH2)16CH3 M SBV 3 21 -0.8250 0.0000 S SKP 5 ID LBGPCkcp:18000SC01:YS2CA0001:YB2PHb001:02 FORMULA C28H56NO8P EXACTMASS 565.374354283 AVERAGEMASS 565.719941 SMILES C(OC(COC(=O)CCCCCCCCCCCCCCCCC)COP([O-1])(=O)OCC[N+1](C)(C)C)(C)=O M END
