Mol:LBGPCccp:14000SC01:14000SC01:YB2PHb001 2
46 45 0 0 0 0 0 0 0 0999 V2000 3.5515 -4.9936 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.5515 -4.1686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5515 -5.8186 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4929 -4.9936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8559 -4.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8559 -3.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6809 -4.9936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0311 -3.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0311 -2.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2061 -2.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2063 -3.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2063 -1.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9207 -2.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3332 -1.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0476 -2.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4601 -1.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1745 -1.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 -1.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3014 -1.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7139 -0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4283 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8407 -0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5552 -0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8559 -2.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6808 -2.1801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6808 -1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 -0.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3953 -0.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9828 -0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6972 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2847 0.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9992 1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5867 2.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3011 2.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8886 3.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6030 3.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9050 4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4925 5.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2069 5.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3178 -4.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3178 -4.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1427 -4.1686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5552 -4.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5552 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8407 -3.0418 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 6 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 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 38 39 1 0 39 40 1 0 4 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 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 1 23 M SBL 1 1 7 M SMT 1 ^OOC(H2C)12H3C M SBV 1 7 0.8248 0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 15 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 M SAL 2 2 39 40 M SBL 2 1 23 M SMT 2 CH2OCO(CH2)12CH3 M SBV 2 23 0.0000 -1.3485 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 41 42 43 44 45 46 M SBL 3 1 40 M SMT 3 CH2CH2N(CH3)3 M SBV 3 40 -0.8248 0.0000 S SKP 5 ID LBGPCccp:14000SC01:14000SC01:YB2PHb001:02 FORMULA C36H71NO8P EXACTMASS 676.491729763 AVERAGEMASS 676.924641 SMILES C(CCCCCC(=O)OCC(COP([O-1])(=O)OCCN(C)CC)OOC(=C)CCCCCCCCCCCC)CCCCCCC M END
