Mol:FL2FADNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.8425 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8413 -1.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1246 -2.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4123 -1.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4124 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1270 -0.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6956 -2.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0166 -1.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0154 -0.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -0.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4454 -0.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1598 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1597 0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4452 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7308 0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6999 -2.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1288 -2.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5548 -0.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8213 -0.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4894 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8404 0.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8404 1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5548 2.0530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1259 2.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4114 1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1259 2.8780 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 4 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 5 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 14 22 1 0 0 0 0 13 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 S SKP 8 ID FL2FADNS0002 KNApSAcK_ID C00014142 NAME 5,7,4'-Trihydroxy-3'-methoxyflavanone 4'-O-isobutyrate CAS_RN 140163-21-9 FORMULA C20H20O7 EXACTMASS 372.120902994 AVERAGEMASS 372.3686 SMILES C(Oc(c3)c(cc(c3)C(C1)Oc(c2)c(c(cc(O)2)O)C(=O)1)OC)(=O)C(C)C M END