Mol:FL2F1LNI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -1.5279 -0.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5093 -1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7322 -1.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0773 -1.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0632 -0.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7888 0.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6776 -1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3514 -1.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3422 -0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 0.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0567 0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7477 -0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4591 0.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4796 0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7678 1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0474 0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6776 -2.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2424 0.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7888 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5591 1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2116 0.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8449 1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5448 0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0917 1.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5591 2.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 2.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1289 2.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5448 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 1.2683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7477 -1.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4819 -1.4636 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 6 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 1 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 20 25 1 1 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 23 28 1 0 0 0 0 14 29 1 0 0 0 0 12 30 1 0 0 0 0 30 31 1 0 0 0 0 S SKP 8 ID FL2F1LNI0004 KNApSAcK_ID C00014193 NAME Alopecurone G;7,4'-Dihydroxy-8-lavandulyl-2'-methoxyflavanone CAS_RN 162558-93-2 FORMULA C26H30O5 EXACTMASS 422.20932407 AVERAGEMASS 422.5134 SMILES O(c(c1C(O3)CC(=O)c(c23)ccc(c2CC(C(C)=C)CC=C(C)C)O)cc(cc1)O)C M END