Mol:LBGPCccp:18000SC01:18000SC01:YB2PHb001 2
54 53 0 0 0 0 0 0 0 0999 V2000 4.6784 -6.1205 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.6784 -5.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6784 -6.9455 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.6198 -6.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9828 -6.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9828 -4.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8078 -6.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9828 -3.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8077 -3.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8077 -2.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0933 -2.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5221 -2.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1097 -1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8241 -0.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4116 -0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1260 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7136 0.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0155 2.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7299 2.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3175 3.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0319 3.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6194 4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3338 4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9214 5.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6358 5.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2233 6.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9377 6.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 -4.6555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 -3.8306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 -3.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9205 -4.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9205 -3.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2061 -3.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2063 -2.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9207 -3.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3332 -2.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0476 -2.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4601 -2.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1745 -2.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 -1.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3014 -2.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7139 -1.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4283 -2.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8407 -1.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5552 -1.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9676 -1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6820 -1.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4446 -6.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4446 -5.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2696 -5.2955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6820 -6.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6820 -4.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9676 -4.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 1 4 1 0 5 6 1 0 5 7 1 0 1 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 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 27 28 1 0 6 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 4 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0
M CHG 1 3 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 M SAL 1 6 23 24 25 26 27 28 M SBL 1 1 7 M SMT 1 CH2OCO(CH2)16CH3 M SBV 1 7 0.0000 -1.3485 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 15 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 M SAL 2 5 44 45 46 47 48 M SBL 2 1 28 M SMT 2 ^OOC(H2C)16H3C M SBV 2 28 0.8248 -0.0000 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 49 50 51 52 53 54 M SBL 3 1 48 M SMT 3 CH2CH2N(CH3)3 M SBV 3 48 -0.8248 0.0000 S SKP 5 ID LBGPCccp:18000SC01:18000SC01:YB2PHb001:02 FORMULA C44H87NO8P EXACTMASS 788.6169302750001 AVERAGEMASS 789.137281 SMILES C(CCCCCCCCCC)CCCCCC(=C)OOC(COP([O-1])(=O)OCCN(C)CC)COC(=O)CCCCCCCCCCCCCCCCC M END
