Mol:FL5FAGGS0034
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 39 42 0 0 0 0 0 0 0 0999 V2000 1.7862 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 2.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 2.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 2.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.9894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 1.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 2.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 3.4301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1786 0.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4561 -1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8688 -2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0753 -1.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -1.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1358 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3422 -1.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5309 -2.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3431 -1.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0669 -1.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7406 -2.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5295 -3.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1426 -3.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0398 -3.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1148 -1.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5364 -1.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5133 -2.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 6 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 26 30 1 0 0 0 0 25 31 1 0 0 0 0 24 32 1 0 0 0 0 33 27 1 0 0 0 0 28 19 1 0 0 0 0 30 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 31 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 S SKP 5 ID FL5FAGGS0034 FORMULA C25H24O14 EXACTMASS 548.116605476 AVERAGEMASS 548.44966 SMILES CC(=O)OC(C4OC(C)=O)C(C)OC(C4O)OC(C1=O)=C(c(c3)cc(c(c(O)3)O)O)Oc(c2)c1c(O)cc2O M END