Mol:FL3FACGS0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -2.4206 -2.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4206 -2.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7195 -3.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0183 -2.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0183 -2.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7195 -1.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3174 -3.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3837 -2.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3837 -2.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3174 -1.7341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3174 -3.9843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0846 -1.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7991 -2.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5135 -1.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5135 -0.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7991 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0846 -0.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 -1.6727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7195 -4.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7991 0.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2280 -0.4967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 3.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7235 2.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2423 1.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8094 0.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1057 1.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1394 2.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9609 4.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1395 3.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2423 0.6778 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 18 1 1 0 0 0 0 3 19 1 0 0 0 0 16 20 1 0 0 0 0 15 21 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 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 20 1 0 0 0 0 S SKP 5 ID FL3FACGS0012 FORMULA C20H18O10 EXACTMASS 418.089996796 AVERAGEMASS 418.35092 SMILES c(c2)(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(c(O)c2)OC(O1)C(O)C(C(O)C1)O M END