Mol:LBF22408AM03
Copyright: ARM project http://www.metabolome.jp/
30 29 0 0 0 0 0 0 0 0999 V2000 1.0675 -0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7822 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4966 -0.0096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7822 1.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3528 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3616 -0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0736 0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8986 0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6131 -0.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3276 0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1526 0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6400 -0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1239 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2989 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5845 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3946 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3839 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0959 -0.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8079 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5199 -0.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2319 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9439 -0.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -0.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2111 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9059 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 0.4029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4571 -0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 0 1 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 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 18 25 1 0 18 26 1 0 3 27 1 0 27 28 1 0 28 29 1 0 28 30 1 1
S SKP 6 ID LBF22408AM03 FORMULA C27H47NO2 EXACTMASS 417.360679753 AVERAGEMASS 417.66762 SMILES C(C(NCC(C)O)=O)CCC=CCC=CCC=CCC=CC(C)(C)CCCCCC AUTODRAW FALSE M END
