Mol:LBG00-k-::20406SC01
26 25 0 0 0 0 0 0 0 0999 V2000 -3.9418 0.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9418 -1.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1168 0.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1168 -1.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4032 -0.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6896 -1.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8646 -1.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3543 -0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1509 -0.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5627 -1.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4032 -0.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6896 0.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2763 -0.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9899 -1.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7035 -0.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8646 0.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1509 -0.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5627 0.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2763 -0.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9899 0.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8149 0.0949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6399 0.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6399 0.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3543 1.3324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6399 -0.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9254 -1.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 2 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 2 8 1 0 1 8 1 0 7 9 1 0 9 10 1 0 3 11 1 0 11 12 1 0 10 13 1 0 13 14 1 0 14 15 1 0 12 16 2 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 22 25 1 0 25 26 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 22 M SMT 1 CH2OH M SBV 1 22 0.0000 -0.8250 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 25 26 M SBL 2 1 24 M SMT 2 CH2OH M SBV 2 24 0.0000 0.8250 S SKP 5 ID LBG00-k-::20406SC01::01 FORMULA C23H40O3 EXACTMASS 364.297745146 AVERAGEMASS 364.56190000000004 SMILES CCCCCC=CCC=CCC=CCC=CCCCCOC(CO)CO M END
