Mol:LBGPGccp:18000SC01:16000SC01:ppppppppp:01
56 55 0 0 0 0 0 0 0 0999 V2000 2.3211 -6.2659 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.3211 -5.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3211 -7.0909 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2625 -6.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6256 -6.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4505 -6.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0873 -6.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1653 -3.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6256 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4506 -3.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4506 -2.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 -1.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -1.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7525 -1.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4669 -0.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0545 -0.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7689 0.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3564 1.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0708 1.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6584 2.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3728 2.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9603 3.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6747 3.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2623 4.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9767 4.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5642 5.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2786 5.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8662 6.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5806 7.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0873 -5.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8018 -5.0286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0873 -4.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9123 -4.6161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9123 -3.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1979 -3.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6267 -3.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6267 -2.5537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6256 -4.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0888 -4.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3237 -3.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3907 -3.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1051 -3.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3907 -2.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2156 -2.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2156 -1.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0406 -1.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0406 -0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8655 -0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8655 0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6905 0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6905 0.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5154 0.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5154 1.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3403 1.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3403 2.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1653 2.5129 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 1 6 1 0 4 7 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 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 2 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 28 29 1 0 7 30 1 0 30 32 1 0 30 31 1 0 8 36 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 5 38 1 0 9 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0
M CHG 1 3 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 M SAL 1 6 24 25 26 27 28 29 M SBL 1 1 56 M SMT 1 CH2OCO(CH2)7CH=CH(CH2)7CH3 M SBV 1 56 0.0000 -1.6394 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 30 31 M SBL 2 2 27 28 M SMT 2 CHOH M SBV 2 27 0.0000 -0.8248 M SBV 2 28 0.0000 -0.8248 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 32 33 34 35 36 37 M SBL 3 2 28 30 M SMT 3 CH2OCOCHNH2 M SBV 3 28 0.0000 -0.8250 M SBV 3 30 0.5386 -0.4126 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 15 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 M SAL 4 4 53 54 55 56 M SBL 4 2 36 37 M SMT 4 CH3(CH2)14COOH^C M SBV 4 36 0.0000 -1.4649 M SBV 4 37 0.0000 1.6394 S SKP 5 ID LBGPGccp:18000SC01:16000SC01:ppppppppp:01 FORMULA C43H81NO11P EXACTMASS 818.554723949 AVERAGEMASS 819.077141 SMILES C(C(OOC(CCCCCCCCCCCCCC)=C)COP([O-1])(=O)OCC(O)COC(=O)C(C)N)OC(=O)CCCCCCCC=CCCCCCCCC M END
