Mol:LBG00c-k:YS2CA0001::18000SC01
27 26 0 0 0 0 0 0 0 0999 V2000 2.0233 3.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 2.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 1.6481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 2.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9795 1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0955 0.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 0.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 0.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4455 -0.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6205 -0.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -1.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -1.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0295 -1.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8545 -1.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -2.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -2.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5045 -3.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3295 -3.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 -4.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 -4.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9795 -4.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8483 3.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2608 4.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8483 4.7821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0858 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 3 4 1 0 2 5 1 0 4 7 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 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 1 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 M SAL 1 2 22 23 M SBL 1 2 5 6 M SMT 1 (CH2)17 M SBV 1 5 -0.8250 0.0000 M SBV 1 6 1.2966 0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 24 25 26 27 M SBL 2 1 23 M SMT 2 OCOCH3 M SBV 2 23 -0.8250 0.0000 S SKP 5 ID LBG00c-k:YS2CA0001::18000SC01:01 FORMULA C23H46O4 EXACTMASS 386.33960995999996 AVERAGEMASS 386.60894 SMILES CCCCCCCCCCCCCCCCC(C)OCC(O)COC(C)=O M END
