Mol:LBF20406AM02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 27 0 0 0 0 0 0 0 0999 V2000 8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -7.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 6 10 2 0 0 0 0 9 11 1 0 0 0 0 2 12 1 0 0 0 0 1 12 1 0 0 0 0 11 13 1 0 0 0 0 14 10 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 22 21 1 0 0 0 0 22 23 1 1 0 0 0 22 24 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 23 28 1 0 0 0 0 S SKP 5 ID LBF20406AM02 FORMULA C23H37NO4 EXACTMASS 391.27225867699997 AVERAGEMASS 391.54422 SMILES [C@H](CO)(C(O)=O)NC(CCCC=CCC=CCC=CCC=CCCCCC)=O M END