Mol:108a FLIA
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -3.5723 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2866 0.2059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -2.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4288 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4288 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 -2.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1432 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5722 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5722 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2866 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 2.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 2.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 2.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 1 2 1 0 1 8 1 0 7 9 2 0 7 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 14 17 1 0 5 18 1 0 10 19 2 0 19 18 1 0 3 20 1 0 15 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 6 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 S SKP 5 ID 108a FLIA FORMULA C25H26O5 EXACTMASS 406.178023942 AVERAGEMASS 406.47094 SMILES CC(C)=CCc(c(O)3)cc(cc3)C(=C2)C(=O)c(c(O)1)c(O2)c(CC=C(C)C)c(O)c1 M END