Mol:FL5FECGS0069
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 39 0 0 0 0 0 0 0 0999 V2000 1.8110 1.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0966 1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0966 2.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 2.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5255 2.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5255 1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3821 1.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3324 1.5110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0468 1.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0468 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3324 -0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3821 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7613 1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4758 1.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4758 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7613 -0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3324 -0.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 2.6844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7453 2.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9913 -0.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7613 -0.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4459 -1.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2604 1.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7453 0.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2604 0.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9943 -2.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1866 -2.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1897 -1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8878 -1.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0799 -0.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2964 -1.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8767 -1.5776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5946 -2.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1756 -2.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1905 1.1270 0.0000 O 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 11 17 2 0 0 0 0 5 18 1 0 0 0 0 18 19 1 0 0 0 0 12 20 1 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 14 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 15 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 28 32 1 0 0 0 0 27 33 1 0 0 0 0 26 34 1 0 0 0 0 29 20 1 0 0 0 0 6 35 1 0 0 0 0 S SKP 5 ID FL5FECGS0069 FORMULA C23H22O12 EXACTMASS 490.111126168 AVERAGEMASS 490.41358 SMILES Oc(c1)c(ccc1C(=C4OC(C(O)5)OCC(C(O)5)O)Oc(c(C4=O)2)cc(O3)c(OC3)c2OC)OC M END