Mol:FL2FAANI0016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -1.0635 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5426 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0217 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0217 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5426 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0635 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4992 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4992 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5404 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4992 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0748 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6091 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6091 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0748 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5404 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5426 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1426 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5839 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5839 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1042 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6234 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1426 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6234 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1042 -0.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5426 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5834 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5426 1.8032 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 3 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 4 1 0 0 0 0 9 11 1 6 0 0 0 7 12 2 0 0 0 0 11 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 17 2 0 0 0 0 17 11 1 0 0 0 0 2 18 1 0 0 0 0 15 19 1 0 0 0 0 6 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 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 22 26 1 4 0 0 0 5 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FL2FAANI0016 KNApSAcK_ID C00008511 NAME Lupiniol A1;Lupiniol A2 CAS_RN 162616-67-3,162681-79-0 FORMULA C25H28O6 EXACTMASS 424.188588628 AVERAGEMASS 424.48622 SMILES O=C(C2)c(c1O)c(OC(c(c3)ccc(c3)O)2)c(c(c1CC(O)C(C)=C)O)CC=C(C)C M END