Mol:LBG00kck:18000SC01:R:CBZ1Sk013
33 33 0 0 0 0 0 0 0 0999 V2000 1.4389 1.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4486 2.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4486 3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2639 1.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2736 3.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6236 2.3901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3952 3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0889 1.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9139 1.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3264 2.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1514 2.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5639 1.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1514 0.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3264 0.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 2.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 1.5651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0986 3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5111 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0986 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2736 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8611 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6236 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6139 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4389 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8514 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6764 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0889 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9139 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3264 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1514 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5639 -3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 3 5 1 0 2 6 1 0 4 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 9 14 1 0 6 15 1 0 15 16 2 0 5 17 1 0 7 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 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 M SAL 1 2 32 33 M SBL 1 2 16 17 M SMT 1 (CH2)17 M SBV 1 16 -0.8250 0.0000 M SBV 1 17 1.2966 0.0000 S SKP 5 ID LBG00kck:18000SC01:R:CBZ1Sk013:01 FORMULA C29H50O4 EXACTMASS 462.37091008799996 AVERAGEMASS 462.70489999999995 SMILES O(C(C)CCCCCCCCCCCCCCCC)CC(COCc(c1)cccc1)OC=O M END
