Mol:LBGPCccp:12000SC01:12000SC01:YB2PHb001 2
42 41 0 0 0 0 0 0 0 0999 V2000 2.9881 -4.4301 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.9881 -3.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9881 -5.2551 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9295 -4.4301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2925 -4.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2925 -2.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1175 -4.4301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7543 -4.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7543 -3.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5793 -3.6052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -4.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -2.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2773 -2.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2925 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1174 -1.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1174 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -0.3793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8318 -0.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4193 0.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1338 0.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7213 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4357 1.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0232 2.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7377 3.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3252 3.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0396 4.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6271 4.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3416 5.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4676 -2.9652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4676 -2.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3573 -2.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7698 -2.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7698 -1.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 -1.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8967 -1.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6111 -1.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0235 -0.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 -1.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1504 -0.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8648 -0.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2773 -0.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9917 -0.6305 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 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 6 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 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 -0.8248 0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 15 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 M SBL 2 1 13 M SMT 2 CH2OCO(CH2)10CH3 M SBV 2 13 0.0000 -1.3485 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 14 29 30 31 32 33 34 35 36 37 38 39 40 41 42 M SBL 3 1 28 M SMT 3 ^OOC(H2C)10H3C M SBV 3 28 0.8248 -0.0000 S SKP 5 ID LBGPCccp:12000SC01:12000SC01:YB2PHb001:02 FORMULA C32H63NO8P EXACTMASS 620.429129507 AVERAGEMASS 620.818321 SMILES O(CC(OOC(=C)CCCCCCCCCC)COC(=O)CCCCCCCCCCC)P([O-1])(=O)OCCN(CC)C M END
