Mol:LBGPxccp:CBZ1Sk013:18000SC01:p
50 52 0 0 0 0 0 0 0 0999 V2000 2.6715 0.8990 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.6715 1.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6715 0.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6127 0.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9759 0.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8009 0.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4377 0.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3655 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7853 3.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6101 3.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0153 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6101 4.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7853 4.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9256 0.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6715 -0.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4965 -0.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3308 0.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1556 0.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5754 0.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1556 1.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3308 1.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 -1.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7348 -1.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1463 -0.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7348 -0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 -0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9759 2.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2615 2.7764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 2.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2615 1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9759 2.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9759 1.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8009 1.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8009 0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6258 0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6258 -0.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4507 -0.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4507 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2757 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2757 -2.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1006 -2.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1006 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9255 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9255 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7505 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7505 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5754 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9759 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8008 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8008 4.5375 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 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 8 13 2 0 7 14 1 0 3 15 1 0 15 16 1 0 14 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 14 21 2 0 16 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 16 26 2 0 5 27 1 0 27 48 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 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 8 50 1 0 48 49 1 0 49 50 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 M SAL 1 6 42 43 44 45 46 47 M SBL 1 2 28 29 M SMT 1 CHOCO(CH2)16CH3 M SBV 1 28 0.0000 -1.4649 M SBV 1 29 0.0000 -1.4649 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 48 49 50 M SBL 2 2 29 50 M SMT 2 CH2OCH2 M SBV 2 29 0.0000 -1.3485 M SBV 2 50 1.5647 -0.8249 S SKP 5 ID LBGPxccp:CBZ1Sk013:18000SC01:ppppppppp:01 FORMULA C42H61O7P EXACTMASS 708.415490816 AVERAGEMASS 708.9033009999999 SMILES C(CCCC(=O)OC(COP(OCc(c3)cccc3)(OCc(c2)cccc2)=O)COCc(c1)cccc1)CCCCCCCCCCCCC M END
