Mol:001b FLIA
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -1.8353 0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8353 -0.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -1.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4064 -0.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4064 0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 0.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 -1.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0224 -0.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 0.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7366 -1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7366 -2.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5004 -2.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2642 -2.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2642 -1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5004 -0.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 -2.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0224 0.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9787 -2.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5498 0.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5498 1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8353 1.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1209 1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8353 2.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2643 1.6927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9787 1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5376 1.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4065 0.8677 0.0000 C 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 1 0 22 6 1 0 21 23 1 0 20 24 1 0 24 25 1 0 22 26 1 0 22 27 1 0 S SKP 5 ID 001b FLIA FORMULA C21H20O6 EXACTMASS 368.125988372 AVERAGEMASS 368.37989999999996 SMILES Oc(c4)ccc(c4)C(=C3)C(=O)c(c2)c(O3)c(c(c2)1)C(C)(C)C(O)C(OC)O1 M END