Mol:LBG00--k:::18109SC01
24 23 0 0 0 0 0 0 0 0999 V2000 -4.4708 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6458 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4708 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4708 -0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6458 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6458 -0.2211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4083 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4792 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0667 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1708 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9958 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4083 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2333 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6458 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4708 -1.4289 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 22 23 1 0 23 24 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 9 16 17 18 19 20 21 22 23 24 M SBL 2 1 7 M SMT 2 CH(CH2)7CH3 M SBV 2 7 2.6084 -2.8579 S SKP 5 ID LBG00--k:::18109SC01:01 FORMULA C21H42O3 EXACTMASS 342.31339520999995 AVERAGEMASS 342.55638 SMILES CCCCCCCCC=CCCCCCCCCOCC(O)CO M END
