Mol:LBG01uuu:R:R:R
61 64 0 0 0 0 0 0 0 0999 V2000 -9.5761 1.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2555 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5566 -0.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4768 -0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7684 0.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4963 1.2157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4768 0.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4768 -0.9245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4768 -2.7201 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 -9.5566 0.4684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5566 -0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2555 1.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2555 0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5761 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2555 -0.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5761 2.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8617 2.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4768 -1.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7623 -2.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6233 1.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7012 1.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7769 1.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7769 0.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7012 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6233 0.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5478 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4748 0.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4748 1.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5478 1.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5478 -1.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4748 -2.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4016 -1.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4016 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3285 -2.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2555 -1.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2555 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3285 0.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7012 2.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8085 1.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8085 2.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3709 2.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6233 -0.8517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5478 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4016 0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9909 -2.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6806 -2.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9835 1.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5468 1.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5468 2.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0041 2.0699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5239 2.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4513 2.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 2.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9327 2.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7584 2.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 2.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4731 0.9391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 1.0022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9327 1.0022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6835 2.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6835 0.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 1 3 4 1 1 5 4 1 1 5 6 1 0 1 6 1 0 4 7 1 0 4 8 1 0 3 10 1 0 3 11 1 0 2 12 1 0 2 13 1 0 1 14 1 0 13 15 1 0 1 16 1 0 16 17 1 0 8 18 1 0 9 18 1 0 18 19 2 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 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 20 29 1 0 26 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 27 33 1 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 33 37 1 0 21 38 1 0 22 39 1 0 39 40 1 0 38 40 1 0 21 41 1 0 25 42 1 0 26 43 1 0 33 44 1 0 34 45 1 0 34 46 1 0 39 47 1 0 47 48 1 0 47 49 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 52 57 1 0 53 58 1 0 54 59 1 0 60 50 1 0 60 61 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 16 17 M SBL 1 1 15 M SMT 1 CH2OH M SBV 1 15 0.0000 -0.9706 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 18 19 M SBL 2 2 17 18 M SMT 2 CO M SBV 2 17 0.0000 0.9221 M SBV 2 18 0.0000 -0.8735 S SKP 5 ID LBG01uuu:R:R:R:01 FORMULA C50H92NO9R EXACTMASS 881.338308547 AVERAGEMASS 881.9279200000001 SMILES CC(C(C)1CO)(C(C)(O)C(CO1)(NC(=O)[R])C)CO M END
