Mol:LBGPCccp:YS6CA0014:YS6CA0014:YB2PHb001 2
30 29 0 0 0 0 0 0 0 0999 V2000 1.2978 -2.7400 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.2978 -1.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2978 -3.5648 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2391 -2.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3978 -2.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3978 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4272 -2.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0641 -2.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0641 -1.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8890 -1.9150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3015 -2.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3015 -1.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5871 -0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2228 -1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2228 -0.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0477 -0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4602 -1.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4602 0.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1746 -0.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5871 0.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3015 0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3978 0.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4272 0.0737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4272 0.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2873 1.3111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1416 1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7291 2.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4435 2.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0311 3.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 3.5648 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 4 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 6 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 6 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0
M CHG 1 3 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 8 9 10 11 12 13 M SBL 1 1 7 M SMT 1 CH2CH2N(CH3)3 M SBV 1 7 -0.8250 0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 8 14 15 16 17 18 19 20 21 M SBL 2 1 13 M SMT 2 ^OOC(CH2)4H3C M SBV 2 13 0.8250 0.0000 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 9 22 23 24 25 26 27 28 29 30 M SBL 3 1 21 M SMT 3 CH2OCO(CH2)4CH3 M SBV 3 21 0.0000 -1.3487 S SKP 5 ID LBGPCccp:YS6CA0014:YS6CA0014:YB2PHb001:02 FORMULA C20H39NO8P EXACTMASS 452.2413287389999 AVERAGEMASS 452.499361 SMILES CCCCCC(=O)OCC(OOC(=C)CCCC)COP([O-1])(=O)OCCN(C)CC M END
