Mol:LBGPCccp:10000SC01:10000SC01:YB2PHb001 2
38 37 0 0 0 0 0 0 0 0999 V2000 2.4246 -3.8667 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.4246 -3.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4246 -4.6917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3660 -3.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -2.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -3.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -1.0532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 0.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2684 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8559 0.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5703 1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1579 2.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8723 2.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4598 3.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1742 3.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7617 4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4762 4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -2.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -1.5768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9207 -1.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3332 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3332 -0.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0476 -1.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4601 -0.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1745 -0.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 -0.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3014 -0.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7139 0.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4283 -0.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1909 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1909 -3.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0158 -3.0418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4283 -3.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4283 -2.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7139 -1.9149 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 6 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 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 4 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0
M CHG 1 3 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 13 8 9 10 11 12 13 14 15 16 17 18 19 20 M SBL 1 1 7 M SMT 1 CH2OCO(CH2)8CH3 M SBV 1 7 0.0000 -1.3485 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 12 21 22 23 24 25 26 27 28 29 30 31 32 M SBL 2 1 20 M SMT 2 ^OOC(H2C)8H3C M SBV 2 20 0.8248 0.0000 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 33 34 35 36 37 38 M SBL 3 1 32 M SMT 3 CH2CH2N(CH3)3 M SBV 3 32 -0.8248 0.0000 S SKP 5 ID LBGPCccp:10000SC01:10000SC01:YB2PHb001:02 FORMULA C28H55NO8P EXACTMASS 564.366529251 AVERAGEMASS 564.712001 SMILES C(COP([O-1])(=O)OCC(OOC(=C)CCCCCCCC)COC(=O)CCCCCCCCC)N(C)CC M END
