Mol:LBF12102PG01
(Redirected from Mol:LBF12102HO01)
Copyright: ARM project http://www.metabolome.jp/
18 18 0 0 0 0 0 0 0 0999 V2000 2.0612 0.9225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3468 0.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6323 0.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0797 0.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7917 0.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5037 0.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5037 -0.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2883 -0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7732 0.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2883 0.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7892 -0.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0772 -0.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6348 -0.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3468 -0.3122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5424 1.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5424 -1.3504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6348 -1.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7732 0.5114 0.0000 C 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 6 1 0 7 11 1 0 11 12 2 0 12 13 1 0 2 14 2 0 10 15 2 0 8 16 1 0 13 17 2 0 1 18 1 0
S SKP 6 ID LBF12102PG01 FORMULA C13H18O5 EXACTMASS 254.11542368599999 AVERAGEMASS 254.27902 SMILES O=CC=CC(C(O)1)C(CCCC(=O)OC)C(=O)C1 AUTODRAW FALSE M END
