Mol:009o FLIA
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.8352 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4063 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4063 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0224 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 0.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7366 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7366 -1.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5004 -2.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2641 -1.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2641 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5004 -0.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 -1.7065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0224 0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9786 -2.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5004 0.4413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 -2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9786 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 -2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 -1.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 0.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9622 2.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3747 1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 2.8874 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 15 19 1 0 2 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 3 25 1 0 6 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 1 1 0 28 30 1 0 28 31 1 0 27 32 1 4 S SKP 5 ID 009o FLIA FORMULA C25H26O7 EXACTMASS 438.167853186 AVERAGEMASS 438.46974 SMILES CC(C)=CCc(c(O)1)c(O4)c(CC(O)C(C)(C)4)c(O3)c(C(=O)C(=C3)c(c2)c(O)cc(O)c2)1 M END