Mol:FL5FDENI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 0.0016 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0064 0.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6886 -1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4199 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4409 0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7232 0.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8349 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1379 0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 0.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4136 0.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4256 -0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7317 -1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5789 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5603 1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8408 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1599 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7184 -1.8645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7019 -1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -1.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1346 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2727 0.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8136 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9925 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8491 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5635 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2780 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2780 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9925 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 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 2 1 0 0 0 0 7 8 1 0 0 0 0 8 5 1 0 0 0 0 2 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 1 2 0 0 0 0 7 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 8 2 0 0 0 0 12 17 1 0 0 0 0 3 18 2 0 0 0 0 4 19 1 0 0 0 0 10 20 1 0 0 0 0 21 14 1 0 0 0 0 13 22 1 0 0 0 0 19 23 1 0 0 0 0 21 24 1 0 0 0 0 20 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 S SKP 8 ID FL5FDENI0001 KNApSAcK_ID C00013527 NAME 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one CAS_RN 443729-38-2 FORMULA C22H22O7 EXACTMASS 398.136553058 AVERAGEMASS 398.40588 SMILES c(c1)c(OC)c(cc1C(=C3OC)Oc(c(C3=O)2)cc(OCC=C(C)C)cc2O)O M END