Mol:FL4DACNI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.4156 0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6955 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4244 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7116 -0.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0153 0.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7171 -1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4352 -0.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7353 0.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1638 0.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1727 1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8918 1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6002 1.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5938 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8739 0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7022 -1.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7116 -1.7330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1239 0.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1798 1.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 -1.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 0.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 -0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 -0.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6075 -0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6075 -1.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2730 -0.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 2 0 0 0 0 4 18 1 0 0 0 0 1 19 1 0 0 0 0 14 20 1 0 0 0 0 8 21 1 0 0 0 0 15 22 1 0 0 0 0 3 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 S SKP 8 ID FL4DACNI0004 KNApSAcK_ID C00014400 NAME 6-(3''-Oxobutyl)taxifolin;3,5,7,3',4'-Pentahydroxy-6-(3-oxobutyl)flavanone CAS_RN 220936-65-2 FORMULA C19H18O8 EXACTMASS 374.100167552 AVERAGEMASS 374.34142 SMILES c(c3CCC(C)=O)(O)cc(O1)c(c3O)C(C(C1c(c2)cc(O)c(O)c2)O)=O M END