Mol:078a FLIH
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 37 0 0 0 0 0 0 0 0999 V2000 -1.4367 0.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4367 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7225 -0.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 0.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7225 0.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7063 -0.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4209 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4209 0.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7063 0.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1349 -0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8986 -2.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6624 -1.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6624 -0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8986 -0.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7225 1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4368 1.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1512 1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1511 0.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5637 2.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9481 1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1353 0.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1349 -1.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7063 -1.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1511 -0.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8655 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 -0.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3769 -2.2274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7225 -1.7582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4369 -2.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 -0.1082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 -1.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3769 -0.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 5 1 0 8 11 1 0 12 13 2 0 14 15 2 0 15 11 1 0 1 2 2 0 6 16 1 0 16 17 2 0 17 18 1 0 1 19 1 0 18 19 1 0 18 20 1 0 18 21 1 0 14 13 1 0 9 22 2 0 11 23 2 0 23 12 1 0 7 24 1 0 2 25 1 0 25 26 1 0 26 27 1 0 13 28 1 0 3 29 1 0 29 30 1 0 27 31 1 0 31 26 1 0 27 32 1 0 27 33 1 0 S SKP 5 ID 078a FLIH FORMULA C26H26O7 EXACTMASS 450.167853186 AVERAGEMASS 450.48043999999993 SMILES O(C)c(c(CC(O5)C5(C)C)1)c(C=3O)c(OC(C(c(c4)ccc(O)c4)3)=O)c(C=2)c(OC(C2)(C)C)1 M END