Mol:FL4DALNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 34 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 1.5404 -1.2020 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 -0.5426 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0069 0.9253 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 -1.5839 0.0003 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 8 18 1 1 0 0 0 15 19 1 0 0 0 0 2 20 1 0 0 0 0 17 21 1 0 0 0 0 1 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 6 27 1 0 0 0 0 5 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 S SKP 8 ID FL4DALNI0001 KNApSAcK_ID C00008627 NAME Kushenol L CAS_RN 101236-50-4 FORMULA C25H28O7 EXACTMASS 440.18350325 AVERAGEMASS 440.48562000000004 SMILES c(c32)(c(c(CC=C(C)C)c(O)c3CC=C(C)C)O)C(C(C(O2)c(c1O)ccc(O)c1)O)=O M END