Mol:LBGPCpkk:YB2PHb001:16000BC12:16000BC12 2
57 56 0 0 0 0 0 0 0 0999 V2000 -2.6488 2.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8558 2.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8558 1.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2887 1.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8558 -1.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7008 -1.6370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6748 1.1998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3288 -1.6370 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0723 -1.6370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3288 -0.5370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3288 -2.8528 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.7919 2.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8223 2.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8223 2.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9726 2.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9726 2.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8771 2.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8771 2.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2090 3.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7459 2.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2798 3.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3591 3.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8959 2.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4328 3.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5472 3.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0462 2.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3909 3.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3403 3.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7561 2.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2249 3.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7561 2.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7281 1.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 1.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0363 1.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0363 0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8222 1.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8222 0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2726 1.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8094 1.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3433 1.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4229 1.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9597 1.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4966 1.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6107 1.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 1.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3271 1.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2765 1.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8196 1.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2887 1.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8196 0.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3722 -1.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3722 -2.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1972 -2.4620 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1972 -1.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0222 -2.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1972 -3.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 3 7 1 1 3 5 1 0 6 8 1 0 8 9 1 0 8 10 2 0 8 11 1 0 3 4 1 1 2 3 1 0 1 2 1 0 13 14 1 0 15 16 1 0 17 18 1 0 19 20 1 0 20 21 1 0 13 21 1 0 13 22 1 0 22 23 1 0 23 24 1 0 15 24 1 0 15 25 1 0 25 26 1 0 26 27 1 0 17 27 1 0 17 28 1 0 12 28 1 0 29 30 1 0 29 31 1 0 19 29 1 0 33 34 1 0 35 36 1 0 37 38 1 0 39 40 1 0 40 41 1 0 33 41 1 0 33 42 1 0 42 43 1 0 43 44 1 0 35 44 1 0 35 45 1 0 45 46 1 0 46 47 1 0 37 47 1 0 37 48 1 0 32 48 1 0 49 50 1 0 49 51 1 0 39 49 1 0 1 12 1 0 7 32 1 0 9 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 57 1 0
M CHG 2 11 -1 54 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 52 53 54 55 56 57 M SBL 1 1 51 M SMT 1 CH2CH2N+(CH3)3 M SBV 1 51 -1.2999 0.0000 S SKP 5 ID LBGPCpkk:YB2PHb001:16000BC12:16000BC12:02 FORMULA C48H100NO6P EXACTMASS 817.7288264470001 AVERAGEMASS 818.284501 SMILES C(CCC(C)CCCC(C)CCOC(COP([O-1])(=O)OCC[N+1](C)(C)C)(COCCC(C)CCCC(CCCC(CCCC(C)C)C)C)[H])C(C)CCCC(C)C M END
