Mol:126b FLIA
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 0.3082 1.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 0.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 0.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 1.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 1.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4514 -0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1658 0.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4514 1.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 -1.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 -1.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4075 -1.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4075 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 0.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4536 -1.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1658 1.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1220 -1.4577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4063 1.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 1.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 1.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 1.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2642 1.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9786 1.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6931 1.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4076 1.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1221 1.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4076 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1221 0.2490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 7 8 1 0 9 5 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 14 15 2 0 15 10 1 0 7 16 2 0 8 17 2 0 17 9 1 0 13 18 1 0 14 13 1 0 1 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 22 29 1 0 14 30 1 0 S SKP 5 ID 126b FLIA FORMULA C25H26O5 EXACTMASS 406.178023942 AVERAGEMASS 406.47094 SMILES CC(C)=CCCC(C)=CCOc(c3)cc(O2)c(c3)C(=O)C(=C2)c(c1)cc(O)c(O)c1 M END