Mol:078b FLIH
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 38 0 0 0 0 0 0 0 0999 V2000 -1.7667 0.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7667 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0524 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3379 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3379 0.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0524 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3765 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0912 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0912 0.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3765 0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8052 -0.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5690 -2.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -1.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -0.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5690 -0.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0524 1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7668 1.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4812 1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4811 0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8937 2.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2782 1.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8056 0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8052 -1.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3765 -1.7582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4811 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1956 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9101 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6247 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9101 -1.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0524 -1.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7669 -2.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1398 -2.0351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6247 -1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1398 -0.7002 0.0000 O 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 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 2 0 27 28 1 0 27 29 1 0 3 30 1 0 30 31 1 0 32 33 1 0 33 34 1 0 14 34 1 0 13 32 1 0 14 13 1 0 S SKP 5 ID 078b FLIH FORMULA C27H26O7 EXACTMASS 462.167853186 AVERAGEMASS 462.49114 SMILES O(C)c(c(CC=C(C)C)1)c(C=3O)c(OC(C(c(c5)cc(c4c5)OCO4)3)=O)c(C=2)c(OC(C2)(C)C)1 M END