Mol:LBG00kc-:18109SC01:CBZ1Sk013
32 32 0 0 0 0 0 0 0 0999 V2000 4.1247 -3.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 -3.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3174 -2.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4903 -2.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0789 -3.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4903 -4.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3174 -4.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2997 -2.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5853 -2.4021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2997 -3.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1247 -2.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2997 -2.4655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2997 -1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 -1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 -0.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6499 -0.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6499 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8249 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8249 0.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8249 1.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8249 2.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6499 2.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6499 3.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4748 3.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4748 4.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2997 4.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2997 4.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1247 4.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1247 -4.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2997 -4.9590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 2 7 1 0 1 10 1 0 2 8 1 0 8 9 2 0 8 10 1 0 1 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 2 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 28 29 1 0 29 30 1 0 1 31 1 0 31 32 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 8 9 10 M SBL 1 2 7 8 M SMT 1 ^OOC M SBV 1 7 0.8250 0.0000 M SBV 1 8 -1.5667 -0.8249 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 15 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 M SAL 2 5 26 27 28 29 30 M SBL 2 1 11 M SMT 2 CH2O(CH2)8CH=CH(CH2)7CH3 M SBV 2 11 0.0000 -1.1740 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 31 32 M SBL 3 1 31 M SMT 3 CH2OH M SBV 3 31 0.0000 1.3195 S SKP 5 ID LBG00kc-:18109SC01:CBZ1Sk013::01 FORMULA C28H46O4 EXACTMASS 446.33960995999996 AVERAGEMASS 446.66244 SMILES c(c1)ccc(c1)C(=O)OC(CO)COCCCCCCCCC=CCCCCCCCC M END
