Mol:LBGPGccp:R:R:YS3HOe014
23 22 0 0 0 0 0 0 0 0999 V2000 -1.0312 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2062 -0.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0312 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -1.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6188 -1.3750 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.4438 -1.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2688 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5913 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6188 -1.9250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2688 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0938 -0.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4438 -0.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0312 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3168 0.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3168 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0312 1.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3977 1.9250 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 2.2688 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9832 0.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0938 0.1645 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 -2.2688 0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 0.8789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8562 -0.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 5 8 2 0 5 9 1 0 7 10 1 0 10 11 1 1 10 12 1 1 1 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 10 18 1 0 18 19 1 0 23 1 1 1 20 21 1 0 21 22 2 0 21 23 1 0
M CHG 1 9 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 13 14 15 16 17 M SBL 1 1 12 M SMT 1 CH2OCOR M SBV 1 12 0.0000 -0.8250 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 18 19 M SBL 2 1 17 M SMT 2 CH2OH M SBV 2 17 0.0000 -0.8250 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 20 21 22 23 M SBL 3 1 19 M SMT 3 RCO^O M SBV 3 19 0.8250 0.0000 S SKP 5 ID LBGPGccp:R:R:YS3HOe014:01 FORMULA C8H12O10PR2 EXACTMASS 360.33900811399997 AVERAGEMASS 360.47084100000006 SMILES OCC([H])(O)COP([O-1])(=O)OCC([H])(COC(=O)[R])OC(=O)[R] M END
