Mol:LBG00-ck::YS2CA0001:18000SC01
27 26 0 0 0 0 0 0 0 0999 V2000 2.0233 4.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 3.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 2.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8483 4.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 2.3626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 3.1876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9795 2.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0295 2.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 3.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0295 3.9021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 2.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0955 1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 0.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 0.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4455 0.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6205 0.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -0.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0295 -1.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8545 -1.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -1.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -1.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5045 -2.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3295 -2.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 -3.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 -3.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9795 -4.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 3 5 1 0 2 6 1 0 6 9 1 0 8 9 1 0 9 10 2 0 5 11 1 0 7 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 8 9 10 M SBL 1 1 6 M SMT 1 CH3C^O M SBV 1 6 0.8250 0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 15 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 M SAL 2 2 26 27 M SBL 2 2 9 10 M SMT 2 (CH2)17 M SBV 2 9 -0.8250 0.0000 M SBV 2 10 1.2966 0.0000 S SKP 5 ID LBG00-ck::YS2CA0001:18000SC01:01 FORMULA C23H46O4 EXACTMASS 386.33960995999996 AVERAGEMASS 386.60894 SMILES CCCCCCCCCCCCCCCCC(C)OCC(CO)OC(C)=O M END
