Mol:LBG01gcc:g:R:R
21 15 0 0 0 0 0 0 0 0999 V2000 1.3549 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1799 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1799 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3549 0.6187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1799 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4654 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4654 -1.4437 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 3.0028 0.5672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3698 -0.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1932 -0.2233 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 -3.0795 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0795 0.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2730 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2730 1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0043 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7568 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7807 0.5363 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1932 -0.1782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1932 1.2507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9557 0.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3465 1.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 6 3 4 1 1 3 5 1 6 5 6 1 0 6 7 1 0 3 8 1 1 8 9 1 0 9 10 1 0 11 12 1 0 13 14 2 0 15 16 1 0 17 18 2 0 17 19 2 0 17 20 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 5 6 7 M SBL 1 1 4 M SMT 1 CH2OR1 M SBV 1 4 0.0000 0.8250 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 8 9 10 M SBL 2 1 7 M SMT 2 OCR2 M SBV 2 7 -0.8229 0.0516 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 17 18 19 20 M SMT 3 HSO3 S SKP 5 ID LBG01gcc:ggggggggg:R:R:01 FORMULA C10H27O7R1R2S EXACTMASS 383.13104890799997 AVERAGEMASS 383.36648 SMILES O M END
