Mol:FL5FFAGS0021
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.6988 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6988 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9843 -2.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2698 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2698 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9843 -0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4447 -2.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1593 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1593 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4447 -0.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4447 -2.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8735 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6018 -0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6018 0.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8735 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9843 -2.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3495 0.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3345 -0.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9476 -2.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9843 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4142 2.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1463 1.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6327 1.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2074 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9686 2.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1237 2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2108 0.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9553 2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2955 2.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3495 1.6202 0.0000 C 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 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 25 31 1 0 0 0 0 22 26 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 S SKP 5 ID FL5FFAGS0021 FORMULA C22H20O12 EXACTMASS 476.095476104 AVERAGEMASS 476.387 SMILES c(c4)(ccc(c4)C(=C3O)Oc(c(C3=O)1)c(OC(C(O)2)OCC(O)C2OC(C)=O)c(cc1O)O)O M END