Mol:FL2FAAGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -2.2642 1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2642 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5496 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8352 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8352 1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5496 1.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1206 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5939 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5939 1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1206 1.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3082 1.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0365 1.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7645 1.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7645 2.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0365 2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3082 2.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1206 -0.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9786 1.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4928 2.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5496 -0.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7259 -1.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0545 -2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4226 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7868 -2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4581 -1.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0901 -1.8585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7776 -2.6255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4928 -2.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3472 -1.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8099 -2.8042 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 18 1 1 0 0 0 0 14 19 1 0 0 0 0 3 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 23 27 1 0 0 0 0 22 28 1 0 0 0 0 21 29 1 0 0 0 0 24 30 1 0 0 0 0 20 25 1 0 0 0 0 S SKP 5 ID FL2FAAGS0005 FORMULA C21H22O9 EXACTMASS 418.126382302 AVERAGEMASS 418.39398 SMILES C(=O)(C3)c(c2OC3c(c4)ccc(O)c4)c(cc(O)c2)OC(O1)C(O)C(O)C(O)C(C)1 M END