Mol:LBG02gck:g:R:R
45 46 0 0 0 0 0 0 0 0999 V2000 1.2581 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2581 0.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2581 1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 0.6057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7331 0.6057 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 1.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9233 1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7483 1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5733 1.4307 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 -1.9167 -0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5042 -1.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6792 -1.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2667 -0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6792 0.4256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5042 0.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2667 -1.1131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6792 -1.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5042 -0.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9167 -1.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3017 -1.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7142 -0.7281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5406 -0.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9545 -1.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5406 -2.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7142 -2.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3017 -2.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4217 -2.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7142 -2.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5406 -1.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9545 -0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9233 0.9219 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.9233 1.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0983 0.9219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7483 0.9219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5733 0.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5733 1.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7483 1.7469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5406 0.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8262 0.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5042 1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7898 1.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9081 0.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3206 -0.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5733 2.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8588 2.9844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 3 6 1 0 7 8 2 0 8 9 1 0 6 7 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 10 15 1 0 13 16 1 0 12 17 1 0 11 18 1 0 10 19 1 0 16 1 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 20 25 1 0 20 26 1 0 26 27 1 0 27 17 1 0 25 28 1 0 24 29 1 0 23 30 1 0 31 32 1 0 31 33 2 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 22 38 1 0 31 39 1 0 38 39 1 0 15 40 1 0 40 41 1 0 4 42 1 0 5 42 1 0 42 43 2 0 36 44 1 0 44 45 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 38 39 M SBL 1 2 37 38 M SMT 1 CH2O M SBV 1 37 0.0000 -0.8250 M SBV 1 38 -0.0971 0.4125 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 40 41 M SBL 2 1 40 M SMT 2 CH2OH M SBV 2 40 0.0000 -0.8250 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 42 43 M SBL 3 2 42 43 M SMT 3 CO M SBV 3 42 -0.8250 0.0000 M SBV 3 43 0.8250 0.0000 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 44 45 M SBL 4 1 45 M SMT 4 CH2OH M SBV 4 45 0.0000 -0.8250 S SKP 5 ID LBG02gck:ggggggggg:R:R:01 FORMULA C28H50NO13PR1R2 EXACTMASS 731.285277201 AVERAGEMASS 731.6526009999999 SMILES C(C(O1)C(C)C(C)C(C)C1COCC(C(C)2)C(OCC(COC=C[R1])OC(=O)[R2])OC(CO)C(C)2)OP(O)(=O)OCC(N)CO M END
