Mol:LBGPxccp:CBZ1Sk013:18000SC01:p 2
43 44 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 5 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 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 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 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 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 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 14 19 2 0 8 22 1 0 20 21 1 0 21 22 1 0 5 23 1 0 20 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 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
M CHG 1 3 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 20 21 22 M SBL 1 2 20 24 M SMT 1 CH2OCH2 M SBV 1 20 1.5647 -0.8249 M SBV 1 24 0.0000 -1.3485 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 15 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 M SAL 2 6 38 39 40 41 42 43 M SBL 2 2 23 24 M SMT 2 CHOCO(CH2)16CH3 M SBV 2 23 0.0000 -1.4649 M SBV 2 24 0.0000 1.3485 S SKP 5 ID LBGPxccp:CBZ1Sk013:18000SC01:ppppppppp:02 FORMULA C35H54O7P EXACTMASS 617.360715592 AVERAGEMASS 617.772821 SMILES C(C(COP(OCc(c2)cccc2)([O-1])=O)OC(CCCCCCCCCCCCCCCCC)=O)OCc(c1)cccc1 M END
