Mol:FL2FALNI0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.8431 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8014 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8014 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8431 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2805 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2404 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2404 -0.3001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2805 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7608 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2805 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2951 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8295 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8295 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2951 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7608 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8426 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8426 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3630 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2273 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2004 0.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7005 1.1846 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 0 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 5 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 17 25 1 0 0 0 0 6 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 -2.2004 0.3186 S SKP 8 ID FL2FALNI0011 KNApSAcK_ID C00008497 NAME Kenusanone I CAS_RN 151782-74-0 FORMULA C21H22O6 EXACTMASS 370.141638436 AVERAGEMASS 370.39578 SMILES COc(c3)c(c(O1)c(c(O)3)C(=O)CC1c(c2)c(O)cc(O)c2)CC=C(C)C M END