Mol:LBGPCccp:16000SC01:16000SC01:YB2PHb001 2
50 49 0 0 0 0 0 0 0 0999 V2000 4.1150 -5.5570 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.1150 -4.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1150 -6.3820 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0564 -5.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4193 -5.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4193 -4.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2443 -5.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4193 -2.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2443 -2.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2443 -1.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5299 -1.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9587 -1.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5462 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2606 -0.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8482 0.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5626 0.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1501 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8645 1.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4521 2.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1665 3.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7540 3.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4684 4.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 4.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7704 5.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3579 5.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0723 6.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8812 -5.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8812 -4.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7061 -4.7321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1186 -5.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1186 -4.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -3.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5945 -4.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5945 -3.2672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7696 -3.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3571 -3.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3571 -2.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3573 -2.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7698 -2.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 -2.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8967 -1.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6111 -2.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0235 -1.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 -2.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1504 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8648 -1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2773 -1.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9917 -1.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4042 -0.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1186 -1.1535 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 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 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 4 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 6 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0
M CHG 1 3 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 M SAL 1 4 23 24 25 26 M SBL 1 1 7 M SMT 1 CH2OCO(CH2)14CH3 M SBV 1 7 0.0000 -1.3485 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 27 28 29 30 31 32 M SBL 2 1 26 M SMT 2 CH2CH2N(CH3)3 M SBV 2 26 -0.8248 0.0000 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 15 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 M SAL 3 3 48 49 50 M SBL 3 1 32 M SMT 3 ^OOC(H2C)14H3C M SBV 3 32 0.8248 0.0000 S SKP 5 ID LBGPCccp:16000SC01:16000SC01:YB2PHb001:02 FORMULA C40H79NO8P EXACTMASS 732.554330019 AVERAGEMASS 733.0309609999999 SMILES C(CC(=C)OOC(COP(OCCN(C)CC)([O-1])=O)COC(CCCCCCCCCCCCCCC)=O)CCCCCCCCCCCC M END
