Mol:FL5FFAGS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.9834 -0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9834 -1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2689 -1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5544 -1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5544 -0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2689 -0.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1601 -1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8746 -1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8746 -0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1601 -0.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1601 -2.7075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5889 -0.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -0.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0453 -0.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0453 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 0.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5889 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6977 -0.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7081 -1.9896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2689 -2.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7099 0.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2717 0.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0623 2.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 1.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9237 1.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2141 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5904 2.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3226 1.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7099 2.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6099 2.7075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6678 2.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 6 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 22 26 1 0 0 0 0 S SKP 5 ID FL5FFAGS0007 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES c(O)(c4)c(c(c(c4O)3)OC(=C(C3=O)O)c(c2)ccc(O)c2)OC(O1)C(O)C(O)C(O)C(C)1 M END