Mol:LBG00kkk:R:R:16402BC01
33 30 0 0 0 0 0 0 0 0999 V2000 -1.6717 0.8822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 0.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7189 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7189 0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5603 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5603 0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5983 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5983 0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5874 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2973 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0053 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4288 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1459 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8486 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2937 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0199 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2756 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8884 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8594 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0969 1.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8594 0.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3191 -0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0969 -0.1441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3191 -1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5485 -1.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4904 -0.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7443 -0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7289 -0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1596 -0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1596 -1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3191 0.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3191 0.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8096 0.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 5 6 1 0 7 8 1 0 9 10 1 0 10 11 1 0 3 11 1 0 3 12 2 0 12 13 1 0 13 14 1 0 5 14 1 0 5 15 2 0 15 16 1 0 16 17 1 0 7 17 1 0 7 18 2 0 2 18 1 0 9 19 2 0 19 20 1 0 19 21 1 0 1 2 1 0 22 23 1 1 24 25 1 0 22 24 1 0 22 27 1 1 26 28 1 0 25 28 1 0 28 29 1 0 28 30 1 0 31 32 1 0 31 33 1 0
S SKP 5 ID LBG00kkk:R:R:16402BC01:01 FORMULA C29H56O3 EXACTMASS 452.422945658 AVERAGEMASS 452.75314 SMILES O(C(C)(C)O)CC([H])C M END
