Mol:LBG00--k:::16107SC01
22 21 0 0 0 0 0 0 0 0999 V2000 -3.8520 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 -0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 -0.2211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7895 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6855 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5105 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1395 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7895 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8520 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 3 5 1 0 4 6 1 0 2 7 1 0 15 16 2 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 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 9 7 8 9 10 11 12 13 14 15 M SBL 1 2 6 7 M SMT 1 CH2(CH2)7CH M SBV 1 6 -0.8250 0.0000 M SBV 1 7 -5.7750 2.8579 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 7 16 17 18 19 20 21 22 M SBL 2 1 7 M SMT 2 CH(CH2)5CH3 M SBV 2 7 2.6084 -2.8579 S SKP 5 ID LBG00--k:::16107SC01:01 FORMULA C19H38O3 EXACTMASS 314.28209508199996 AVERAGEMASS 314.50322 SMILES CCCCCCC=CCCCCCCCCOCC(O)CO M END
