Mol:LBGPCccp:09000SC01:09000SC01:YB2PHb001 2
36 35 0 0 0 0 0 0 0 0999 V2000 2.0674 -3.6605 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0674 -2.8355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0674 -4.4855 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0088 -3.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3718 -3.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3718 -2.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1968 -3.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3718 -0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1968 -0.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1968 -0.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4823 0.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9112 0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4987 1.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2131 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8006 2.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5151 2.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1026 3.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 3.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4045 4.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 -2.1955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 -1.3706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -1.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6904 -2.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6904 -0.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4048 -1.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8173 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5317 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9442 -0.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6586 -0.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0711 0.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8337 -3.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8337 -2.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6586 -2.8355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0711 -3.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0711 -2.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3567 -1.7087 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 6 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 4 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0
M CHG 1 3 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 12 8 9 10 11 12 13 14 15 16 17 18 19 M SBL 1 1 7 M SMT 1 CH2OCO(CH2)7CH3 M SBV 1 7 0.0000 -1.3485 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 11 20 21 22 23 24 25 26 27 28 29 30 M SBL 2 1 19 M SMT 2 ^OOC(H2C)7H3C M SBV 2 19 0.8248 -0.0000 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 31 32 33 34 35 36 M SBL 3 1 30 M SMT 3 CH2CH2N(CH3)3 M SBV 3 30 -0.8248 0.0000 S SKP 5 ID LBGPCccp:09000SC01:09000SC01:YB2PHb001:02 FORMULA C26H51NO8P EXACTMASS 536.335229123 AVERAGEMASS 536.6588409999999 SMILES CCCCCCCCC(=O)OCC(OOC(=C)CCCCCCC)COP([O-1])(=O)OCCN(C)CC M END
