Mol:LBST03010010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 35 0 0 0 0 0 0 0 0999 V2000 9.5357 3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5357 4.7645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6697 5.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8037 4.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8037 3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6697 3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9377 3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8037 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6697 2.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9377 0.2645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8037 0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9377 -0.7355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8037 -1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6697 -0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6697 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9866 0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3988 -0.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9377 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9866 -1.0445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6776 -1.9955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3467 -2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3904 -3.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6994 -2.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -2.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4123 -3.3624 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4863 -1.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1033 -4.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4018 5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -1.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1522 -4.0045 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0543 -4.6225 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7942 -5.2645 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 2 0 0 0 0 2 29 1 6 0 0 0 8 9 1 0 0 0 0 6 9 2 0 0 0 0 10 11 1 0 0 0 0 8 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 11 15 1 0 0 0 0 10 16 1 1 0 0 0 16 17 1 0 0 0 0 12 18 1 1 0 0 0 20 21 1 1 0 0 0 22 23 2 0 0 0 0 20 23 1 0 0 0 0 24 25 1 0 0 0 0 25 22 1 4 0 0 0 19 17 1 1 0 0 0 12 19 1 6 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 24 30 1 0 0 0 0 25 28 1 0 0 0 0 19 20 1 0 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 28 33 1 0 0 0 0 S SKP 5 ID LBST03010010 FORMULA C28H41F3O2 EXACTMASS 466.30586515600004 AVERAGEMASS 466.6191496 SMILES C[C@@H](C=CC(C(F)(F)F)C(C)(C)O)[C@H]([C@@](C)31)CC[C@@H](C(CCC3)=CC=C(C2)C(=C)CC[C@@H]2O)1 M END