Mol:LBGPxccp:18000SC01:CBZ1Sk013:p 2
43 44 0 0 0 0 0 0 0 0999 V2000 -1.6041 -6.1205 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.6041 -5.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6041 -6.9455 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6629 -6.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2998 -6.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4748 -6.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1621 -6.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6499 -6.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0551 -6.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -6.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2998 -6.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -5.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0551 -5.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0556 -4.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -5.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1267 -5.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5902 -4.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2306 -4.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5942 -4.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2998 -3.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4748 -3.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4748 -2.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1892 -2.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7604 -2.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1729 -1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4585 -0.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8709 -0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1565 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 0.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8546 1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 2.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5526 2.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9651 3.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2507 3.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6631 4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0513 4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3612 5.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3532 5.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0592 6.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6552 6.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2998 -4.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5853 -4.2431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1729 -4.9575 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 1 6 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 8 13 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 14 19 2 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 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 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 5 41 1 0 20 41 1 0 14 43 1 0 41 42 1 0 42 43 1 0
M CHG 1 3 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 M SAL 1 6 35 36 37 38 39 40 M SBL 1 1 41 M SMT 1 CH2OCO(CH2)16CH3 M SBV 1 41 0.0000 -1.3485 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 41 42 43 M SBL 2 3 40 41 42 M SMT 2 CHOCH2 M SBV 2 40 0.0000 -1.4649 M SBV 2 41 0.0000 1.3485 M SBV 2 42 1.1173 0.2583 S SKP 5 ID LBGPxccp:18000SC01:CBZ1Sk013:ppppppppp:02 FORMULA C35H54O7P EXACTMASS 617.360715592 AVERAGEMASS 617.772821 SMILES P(OCC(COC(CCCCCCCCCCCCCCCCC)=O)OCc(c2)cccc2)([O-1])(=O)OCc(c1)cccc1 M END
