Mol:FL2FALNI0037
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -1.5728 -0.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5542 -1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -1.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1222 -1.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -0.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8337 0.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6327 -1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3065 -1.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2973 -0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6134 0.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0118 0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 -0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4142 0.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4347 0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0026 0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6327 -2.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2872 0.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1365 1.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -2.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8337 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2565 0.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8898 1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5896 0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5896 0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1365 1.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 2.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0597 2.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1737 2.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 -1.0558 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 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 14 19 1 0 0 0 0 3 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 22 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 22 28 1 1 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 12 31 1 0 0 0 0 S SKP 8 ID FL2FALNI0037 KNApSAcK_ID C00014194 NAME Remangiflavanone B;5,7,2',4'-Tetrahydroxy-8-(2-isopropyl-5-methyl-5-hexenyl)flavanone CAS_RN 289681-43-2 FORMULA C25H28O6 EXACTMASS 424.188588628 AVERAGEMASS 424.48622 SMILES c(c3O)c(c(C(=O)1)c(c3CC(C(C)=C)CCC(C)=C)OC(c(c2)c(O)cc(O)c2)C1)O M END