Mol:055a FLIF
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.1690 0.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 0.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4547 -0.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7403 0.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7403 0.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4547 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0259 -0.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0259 1.3315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4547 2.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1691 2.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8836 2.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8835 1.3315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2961 2.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6805 1.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0259 -1.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0259 2.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7244 0.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7244 0.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4384 -0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2022 -1.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 -1.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 -0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2022 0.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6805 -1.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2022 0.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 1.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4384 -1.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2022 -2.4584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -2.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6805 -2.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 0.5143 0.0000 H 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 8 5 1 0 1 2 2 0 6 9 1 0 9 10 2 0 10 11 1 0 1 12 1 0 11 12 1 0 11 13 1 0 11 14 1 0 7 15 2 0 8 16 1 0 17 18 1 0 17 19 1 0 20 21 2 0 22 23 2 0 23 19 1 0 22 21 1 0 21 24 1 0 23 25 1 0 18 26 1 0 26 25 1 0 19 27 2 0 27 20 1 0 20 28 1 0 28 29 1 0 24 30 1 0 7 17 1 0 17 31 1 4 S SKP 5 ID 055a FLID FORMULA C24H26O6 EXACTMASS 410.172938564 AVERAGEMASS 410.45964 SMILES COc(c4)c(OC)cc(c34)C([H])(CCO3)C(=O)c(c2)c(OC)c(C=1)c(c2)OC(C)(C)C1 M END