Mol:LBG00kkk:R:R:18109SC01
28 28 0 0 0 0 0 0 0 0999 V2000 2.9071 -5.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9071 -3.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9071 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 -3.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 -5.1189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 -4.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 -3.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2986 -5.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9071 -2.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0821 -2.3055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0821 -1.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2572 -1.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2572 -0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4323 -0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4323 0.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3927 0.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3927 0.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2176 0.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2176 1.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0425 1.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0425 2.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8675 2.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8675 3.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6924 3.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6924 4.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5174 4.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5174 5.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3423 5.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 2 1 0 4 2 1 0 5 1 1 0 4 6 1 0 5 6 1 0 6 7 1 0 6 8 1 0 2 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 2 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 27 28 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 M SAL 1 5 24 25 26 27 28 M SBL 1 1 9 M SMT 1 CH2O(CH2)8CH=CH(CH2)7CH3 M SBV 1 9 0.0000 -1.3485 S SKP 5 ID LBG00kkk:R:R:18109SC01:01 FORMULA C25H48O3 EXACTMASS 396.360345402 AVERAGEMASS 396.64682 SMILES CCCCCCCCC=CCCCCCCCCOCC(C)(C1)OC(C)(C)O1 M END
