Mol:LBGPCccp:YS7CA0015:YS7CA0015:YB2PHb001 2
32 31 0 0 0 0 0 0 0 0999 V2000 -0.4074 -2.1393 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.4074 -1.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4074 -2.9641 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5339 -2.1393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -2.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -0.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -2.1393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -0.6744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -1.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5636 -1.9118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9924 -1.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5799 -2.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2943 -3.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8819 -3.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5963 -4.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1838 -4.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 0.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 0.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 1.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9925 1.9118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5636 1.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9761 2.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2617 3.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6741 3.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0403 4.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3722 4.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3589 -2.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3589 -1.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1838 -1.3144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5963 -2.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5963 -0.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8819 -0.1875 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 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 6 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 4 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0
M CHG 1 3 -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 7 M SMT 1 NHCO(CH2)5CH3 M SBV 1 7 -0.8250 0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 10 17 18 19 20 21 22 23 24 25 26 M SBL 2 1 16 M SMT 2 CH2OCO(CH2)5CH3 M SBV 2 16 0.0000 -1.3487 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 27 28 29 30 31 32 M SBL 3 1 26 M SMT 3 CH2CH2N(CH3)3 M SBV 3 26 -0.8250 0.0000 S SKP 5 ID LBGPCccp:YS7CA0015:YS7CA0015:YB2PHb001:02 FORMULA C22H44N2O7P EXACTMASS 479.288613282 AVERAGEMASS 479.5678010000001 SMILES CCCCCCC(=O)NC(COC(=O)CCCCCC)COP([O-1])(=O)OCCN(C)CC M END
