Mol:FL2FALNI0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 -2.2004 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1586 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1586 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2004 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1168 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1168 -0.3001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6377 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4036 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9379 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4723 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4723 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9379 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4036 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1299 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9379 -0.9242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1998 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1998 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7202 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0057 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7202 0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5576 0.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0576 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 17 19 1 0 0 0 0 13 20 1 0 0 0 0 5 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 23 25 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 6 28 1 0 0 0 0 28 29 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 28 29 M SBL 2 1 30 M SMT 2 OCH3 M SVB 2 30 -2.5576 0.3186 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 2.0057 0.9253 S SKP 8 ID FL2FALNI0015 KNApSAcK_ID C00008501 NAME Kenusanone E CAS_RN 144161-82-0 FORMULA C22H24O7 EXACTMASS 400.152203122 AVERAGEMASS 400.42176000000006 SMILES C(C=C(C)C)c(c31)c(cc(O)c(C(=O)CC(O3)c(c2O)c(cc(c2)OC)O)1)OC M END