Mol:LBGPCccp:YS7CA0015:YB4CAr031:YB2PHb001
31 30 0 0 0 0 0 0 0 0999 V2000 0.7652 -3.0972 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 -2.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 -3.9220 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7065 -3.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9304 -3.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9304 -1.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1054 -3.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7689 -2.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7689 -0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5315 -3.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5315 -2.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3564 -2.2723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7689 -2.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7689 -1.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0544 -1.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9304 -0.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1055 -0.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1055 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8199 0.9538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1965 1.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9109 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4984 2.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2129 3.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8004 3.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5803 0.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5803 1.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5803 0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5803 -0.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7554 -0.8073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7554 -1.6323 0.0000 O 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 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 6 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 6 31 1 0 8 27 1 0 9 27 1 0 26 27 1 0 26 28 3 0 28 29 1 0 29 30 1 0 30 31 1 0
M CHG 1 3 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 10 11 12 13 14 15 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 10 16 17 18 19 20 21 22 23 24 25 M SBL 2 1 13 M SMT 2 CH2OCO(CH2)5CH3 M SBV 2 13 0.0000 -1.3487 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 26 27 28 29 30 31 M SBL 3 3 23 24 25 M SMT 3 ^OOCH2CCH3C M SBV 3 23 0.8250 0.0000 M SBV 3 24 -1.1885 -4.2991 M SBV 3 25 -1.1885 -2.3293 S SKP 5 ID LBGPCccp:YS7CA0015:YB4CAr031:YB2PHb001:01 FORMULA C21H39NO8P EXACTMASS 464.2413287389999 AVERAGEMASS 464.510061 SMILES CCCCCCC(=O)OCC(OOCC#CC(C)C)COP([O-1])(=O)OCCN(C)CC M END
