Mol:LBGPCccp:08000SC01:YB5CAr025:YB2PHb001
33 32 0 0 0 0 0 0 0 0999 V2000 0.9406 -3.3034 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.9406 -2.4784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9406 -4.1283 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8819 -3.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -3.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -1.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -3.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 -2.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 -1.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 -1.8385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 -2.6634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4049 -2.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8174 -1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8174 -3.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5318 -2.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9443 -3.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7069 -3.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7069 -2.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5318 -2.4785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9443 -3.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9443 -1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2299 -1.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -0.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -0.4898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 0.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6445 0.7476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7844 0.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3719 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0863 1.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6738 2.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3883 3.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9758 3.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6902 4.1283 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 10 1 0 8 13 1 0 9 13 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 4 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 6 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0
M CHG 1 3 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 10 11 12 13 14 15 16 M SBL 1 3 7 8 9 M SMT 1 ^OOCC(H2C)2H3C M SBV 1 7 0.8250 0.0000 M SBV 1 8 0.1549 -0.8017 M SBV 1 9 0.1549 0.9355 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 17 18 19 20 21 22 M SBL 2 1 16 M SMT 2 CH2CH2N(CH3)3 M SBV 2 16 -0.8250 0.0000 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 11 23 24 25 26 27 28 29 30 31 32 33 M SBL 3 1 22 M SMT 3 CH2OCO(CH2)6CH3 M SBV 3 22 0.0000 -1.3487 S SKP 5 ID LBGPCccp:08000SC01:YB5CAr025:YB2PHb001:01 FORMULA C23H45NO8P EXACTMASS 494.288278931 AVERAGEMASS 494.57910100000004 SMILES CCCCCCCC(=O)OCC(OOC(CCC)=C(C)C)COP([O-1])(=O)OCCN(C)CC M END
