Mol:004c FLIA
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.5442 -0.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2587 1.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2587 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5442 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8297 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8297 1.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5442 2.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1153 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5991 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1153 2.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3133 0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3133 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0772 -0.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0772 1.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1131 -0.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5991 1.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9729 0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9729 2.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0772 1.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0772 -1.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 -2.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6049 -1.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6049 -0.6882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0174 -2.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4018 -1.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9729 -0.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6873 -0.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6873 -1.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4018 -0.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4018 -1.0151 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 7 1 0 7 2 2 0 5 8 1 0 8 9 1 0 10 6 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 15 16 2 0 16 11 1 0 8 17 2 0 9 18 2 0 18 10 1 0 3 19 1 0 2 20 1 0 4 1 1 0 15 14 1 0 16 21 1 0 13 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 14 1 0 24 26 1 0 24 27 1 0 19 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 S SKP 5 ID 004c FLIA FORMULA C26H28O6 EXACTMASS 436.188588628 AVERAGEMASS 436.49692 SMILES O(C(C)(C)1)c(c4)c(cc(c4O)C(=C3)C(c(c2O)c(O3)cc(c2CCC(C)(C)C)O)=O)C=C1 M END