Mol:LBGPIpcc:p:R:R
32 28 0 0 0 0 0 0 0 0999 V2000 0.6608 1.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 1.4142 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.9834 1.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8084 1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3234 1.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 0.8642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9986 2.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8084 1.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9986 1.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7322 1.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1094 1.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7322 2.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8084 2.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1094 1.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7322 0.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9986 0.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7322 3.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 2.0879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8084 0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 0.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3795 0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3795 1.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 0.1602 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 2.8084 -0.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 -0.6648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 -1.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8084 -1.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3795 -1.9023 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 -2.5678 -1.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5197 -3.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5581 -2.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5581 -1.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 2 5 2 0 2 6 1 0 7 8 1 0 8 9 1 1 9 10 1 1 11 10 1 1 11 12 1 0 7 12 1 0 8 13 1 0 11 14 1 0 10 15 1 0 9 16 1 0 12 17 1 0 7 18 1 0 1 14 1 0 4 19 1 0 19 24 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0
A 15 Man A 17 Mann A 29 n=0 monomannoside A 30 n=3 tetramannoside A 31 n=2 trimannoside A 32 n=1 dimannoside M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 19 20 21 22 23 M SBL 1 2 19 20 M SMT 1 CHOCO-R1 M SBV 1 19 0.0000 0.8250 M SBV 1 20 0.0000 0.8250 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 5 24 25 26 27 28 M SBL 2 1 20 M SMT 2 CH2OCO-R2 M SBV 2 20 0.0000 0.8250 S SKP 5 ID LBGPIpcc:ppppppppp:R:R:01 FORMULA C18H39O11PR1R2 EXACTMASS 554.2062986 AVERAGEMASS 554.4527210000001 SMILES C M END
