Mol:FL2FACGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.2285 0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2285 -0.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -0.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7996 -0.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7996 0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 1.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0851 -0.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6294 -0.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6294 0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0851 1.1935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3436 1.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0716 0.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7998 1.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7998 2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0716 2.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3436 2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0851 -1.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5278 2.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9427 1.1933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 3.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -1.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7277 -1.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 -2.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4191 -2.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7723 -2.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4378 -1.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0808 -2.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4121 -1.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5278 -2.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7805 -2.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7911 -3.1902 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 20 15 1 0 0 0 0 3 21 1 0 0 0 0 22 23 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 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 21 1 0 0 0 0 S SKP 5 ID FL2FACGS0002 FORMULA C21H22O10 EXACTMASS 434.121296924 AVERAGEMASS 434.39338 SMILES C(=O)(C3)c(c2OC3c(c4)cc(c(O)c4)O)c(cc(O)c2)OC(O1)C(O)C(O)C(O)C(C)1 M END