Mol:FL2FALNI0016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -2.2001 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2001 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6374 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1166 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1166 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6374 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4038 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6374 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9382 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4725 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4725 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9382 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4038 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7205 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1297 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9382 -0.9242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1996 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1996 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7205 0.5128 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 6 19 1 0 0 0 0 17 20 1 0 0 0 0 13 21 1 0 0 0 0 5 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 15 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 29 M SMT 1 OCH3 M SBV 1 29 -7.8764 4.5634 S SKP 8 ID FL2FALNI0016 KNApSAcK_ID C00008502 NAME Kenusanone D CAS_RN 144161-81-9 FORMULA C21H22O7 EXACTMASS 386.136553058 AVERAGEMASS 386.39518 SMILES O(C(c(c3O)c(cc(c3)OC)O)2)c(c(CC=C(C)C)1)c(C(=O)C2)c(cc(O)1)O M END