Mol:FL5FFAGS0023
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 -1.6782 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6782 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9637 -2.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2491 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2491 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9637 -0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4654 -2.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1799 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1799 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4654 -0.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4654 -2.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8941 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6224 -0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3507 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3507 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6224 0.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8941 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9637 -2.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3701 0.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3138 -0.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9683 -2.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9637 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3936 2.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7002 1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1257 1.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7884 0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 1.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1868 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7974 2.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1031 2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2122 0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9759 2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3162 2.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3701 1.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9252 0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2029 0.9656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3327 -0.2222 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 31 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 S SKP 5 ID FL5FFAGS0023 FORMULA C24H22O13 EXACTMASS 518.10604079 AVERAGEMASS 518.42368 SMILES O(C(C)=O)C(C1O)C(OC(C)=O)C(Oc(c4O)c(c3c(c4)O)OC(=C(C3=O)O)c(c2)ccc(c2)O)OC1 M END