Mol:LBGPSccp:YS6CA0014:YS6CA0014:AS3PH0002

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M CHG 2 3 -1 21 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 9 8 9 10 11 12 13 14 15 16 M SBL 1 1 30 M SMT 1 CH2OCO(CH2)4CH3 M SBV 1 30 0.0000 -1.3485 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 5 17 18 19 20 21 M SBL 2 2 14 15 M SMT 2 CH2CHCOO- M SBV 2 14 -0.8248 0.0000 M SBV 2 15 0.9393 -0.0001 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 2 20 21 M SMT 3 CH3(CH2)4COOH^C M SBV 3 20 0.0000 -1.4649 M SBV 3 21 0.0000 1.3485 S SKP 5 ID LBGPSccp:YS6CA0014:YS6CA0014:AS3PH0002:01 FORMULA C18H32NO10P EXACTMASS 453.1763827589999 AVERAGEMASS 453.421181 SMILES CCCCCC(=O)OCC(OOC(=C)CCCC)COP([O-1])(=O)OCC(N)C([O-1])=O M END