Mol:LBF101nnXX01
Copyright: ARM project http://www.metabolome.jp/
12 12 0 0 0 0 0 0 0 0999 V2000 2.7707 -0.0766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0588 0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3468 -0.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6348 0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0772 -0.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7892 0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5012 -0.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2858 0.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7707 -0.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2858 -1.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5012 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0588 1.1566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 7 1 0 2 12 2 0
S SKP 6 ID LBF102nnXX01 FORMULA C10H16O2 EXACTMASS 168.11502975599998 AVERAGEMASS 168.23283999999998 SMILES OC(=O)CCCCC(C1)C=CC1 AUTODRAW FALSE M END